Machine Learning
SimAuthor: Harnessing Foundation Models for Persistent Scientific Simulator Authoring
Yishan Wang, Ran Piao, Mathias Funk et al. (+1 more)
Foundation models can generate scientific code, but authoring a scientific simulator (an executable program encoding hypotheses about how mechanisms generate observable signals) requires iterative refinement. Scientific adequacy rarely admits a unique implementation or exact test, so simulators must instead be judged against limited real observations. We study this setting as scientific simulator authoring under weak empirical feedback, where distributional comparisons between simulated and real signals guide revision, and the target is the simulator itself rather than only its generated samples. We introduce SimAuthor, a persistent authoring harness that retains and revises executable simulators, separates scalar search scores from structured discrepancy feedback, and accumulates reusable implementation mechanisms. We evaluate SimAuthor on six biomedical tasks spanning cardiac and respiratory audio, photoplethysmography (PPG), and electrocardiography (ECG). Under a fixed 100-attempt budget, SimAuthor outperforms PUCT score search on all six tasks, generally outperforms textual-strategy optimization, and achieves the highest endpoint score on five of six. The authored simulators also improve on unseen recordings, transfer to independent pretrained representations, and yield substantial out-of-distribution gains in downstream ECG classification. Finally, 111 of 138 audited revisions alter program structure and account for 86.1% of the signed score improvement. These results suggest that persistent revision can progressively convert foundation-model knowledge into better executable scientific simulators from limited empirical evidence.
Read the full abstract ▾
All authors Yishan Wang, Ran Piao, Mathias Funk, Aaqib Saeed
Machine Learning
Lipschitz Thinking: Ten Years of Certifiable-by-Design Robust Neural Networks
Fabio Brau, Giorgio Piras, Maura Pintor et al. (+1 more)
The Lipschitz property of a deep neural network provides a direct measure of its sensitivity to input perturbations and, when explicitly controlled, offers a principled way to limit the propagation of errors and improve robustness. Over the past decade, Lipschitz-bounded layers have been incorporated into increasingly expressive and high-performing deep models, narrowing the gap between empirical robustness and formal, by-design guarantees of stability. This article introduces the fundamental concepts underlying Lipschitz-bounded neural networks, explaining the principles behind Lipschitz-constrained layers, the mechanisms used to enforce their bounds, and how they yield robustness certificates at the cost of a single forward pass. The tutorial concludes by discussing emerging and open directions, highlighting Lipschitz control as a general framework for offering guaranteed, by-design stability.
Read the full abstract ▾
All authors Fabio Brau, Giorgio Piras, Maura Pintor, Battista Biggio
Machine Learning
Generative World Models Enable Predictive Control of Laser Melt Pool Dynamics
Yiyang Yan, Markus Bambach and Mohamadreza Afrasiabi
World models, which learn how environments respond to actions, are emerging as a powerful paradigm for planning through imagined futures, transforming decision-making across games, robotics and autonomous driving. Bringing this capability to manufacturing could enable process decisions on timescales inaccessible to high-fidelity simulation. Here we introduce a generative world model for localized highly dynamic
laser melt pool that predicts
evolution from histories of temperature and phase morphology under candidate actions. Its generative latent dynamics capture the effects of unresolved melt flow, enabling more accurate recursive rollouts than deterministic regressors under transient
laser inputs. Because the learned dynamics are differentiable, the model can serve directly as a predictive control plant. Gradients through imagined futures optimize
laser schedules that regulate melt-pool depth over previously unseen geometry, path, initialization. We further distil this optimization into an amortized policy that produces control actions in a single forward pass, providing a proof of concept for real deployment on machines.
Read the full abstract ▾
Machine Learning
Constrained Goal-directed Planar Graph Generation with Grammar-based Reinforcement Learning
Nicolas Hochuli, Lorenzo Miele, Kristina Shea et al. (+1 more)
Planar graphs are central to applications across science and engineering, yet existing generators provide limited support for goal-directed generation under hard structural and
geometric feasibility constraints. We propose a
dataset-free method for generating planar graph
embeddings by combining parametric graph grammars with safe reinforcement learning to optimize generic task-specific objectives while satisfying constraints during construction. We formulate the generation process as a constrained Markov decision process, where the graph grammar defines the state and action spaces. We further introduce an action projection that maps sampled actions toward state-dependent safe sets, improving constraint satisfaction during training. In contrast to classical graph generators and deep generative models, which typically offer limited goal-directed control or rely on weak constraint satisfaction, our method constructs feasible planar graph
embeddings directly during generation. We also introduce a
benchmark suite for constrained and goal-directed planar graph generation, together with classical and deep generative baselines. Across all
benchmark tasks, our method consistently outperforms baselines while satisfying the formulated constraints.
Read the full abstract ▾
All authors Nicolas Hochuli, Lorenzo Miele, Kristina Shea, Tino Stankovic
Machine Learning
RoSA: Rotational Sparse Adaptation for Memory-Efficient Fine-Tuning
Muhammad Azeem Lodhi, Chao Zhou and Rebekka Burkholz
Parameter-efficient fine-tuning (PEFT) reduces the cost of adapting foundation models by focusing training on a small parameter subset. Complementary to this idea, we introduce RoSA (Rotational Sparse Adaptation), which narrows adaptation to a subset of layers at a time. RoSA freezes lower layers close to the input throughout training and rotates a trainable block over later layers, progressively increasing the number of frozen layers close to the input. This design reduces optimizer-state
memory, shortens backpropagation, and even forward propagation if activations at the last frozen layer are cached. Because RoSA is orthogonal to the choice of trainable parameterization, it can be combined with PEFT methods or sparse optimizers within each active block. Experiments across multiple LLM architectures and tasks show that RoSA reduces peak
memory while maintaining strong fine-tuning performance.
Read the full abstract ▾
Machine Learning
Few-Shot Prototype Head Adaptation for On-Device ECG Personalization on PSoC~6
Guilherme Silva, Pedro Silva, Gladston Moreira et al. (+1 more)
Wearable and bedside electrocardiogram (ECG) monitors must adapt to patient-specific morphology to maintain arrhythmia detection accuracy across users, yet personalization is typically performed offline and cannot account for individual physiology, electrode placement, or recording drift. On-device adaptation by backpropagation is expensive for microcontroller-class medical devices because it requires an optimizer state, repeated backward passes through convolutional layers, and labeled arrhythmic beats that may not be available at deployment time. This letter proposes prototype-only head adaptation as a compact personalization primitive for TinyML ECG systems. A one-dimensional convolutional neural network (1-D CNN; 1,314 parameters and 72.6k multiply-accumulate operations per beat) is trained offline on the MIT-BIH Arrhythmia Database under an inter-patient protocol, frozen as a feature extractor, and exported to a PSoC 6 microcontroller. Patient-specific adaptation then reduces to computing closed-form class means in a 32-dimensional
embedding space, requiring no convolutional backward pass, no iterative optimization, and only one forward pass per support beat. Prototype adaptation improves inter-patient macro-F1 from 0.635/0.639/0.646 to 0.731/0.771/0.797 at 1/5/10-shot, outperforming linear
stochastic-gradient-descent (SGD) head fine-tuning at every shot count for the target tiny backbone. On-device replay over 18 one-shot episodes on a PSoC 6 Cortex-M4F matches the host macro-F1 for the prototype head (0.798), with 11.39 ms per beat, 5.2 KB flash, and 22.2 KB SRAM. A restricted variant that updates only the normal-class prototype from passively buffered sinus beats yields a consistent +0.05 macro-F1 gain, reducing the annotation burden during initial
Read the full abstract ▾
All authors Guilherme Silva, Pedro Silva, Gladston Moreira, Eduardo Luz
Machine Learning
Certification-Enhanced Generalization Bounds
Leo Elmecker-Plakolm and Matthew Wicker
We investigate the use of formal methods to provide tight and sound generalization bounds for learning
algorithms. By casting the traditional notion of algorithmic stability as a specification to be verified, we demonstrate that recent advances in reachability analysis can yield provable bounds on the generalization of a given model and
algorithm on a sample
dataset. As sample-specific algorithmic stability is insufficient to bound the usual distributional notion of generalization, we develop a novel concentration inequality to connect the sample-specific results of formal certification
algorithms to the required distributional analysis for bounding the expected generalization gap. The resulting framework enables the analysis of prior generalization bounds to extend far beyond their original restrictive assumptions. Our approach computes sound bounds on the expected generalization gap in a constant number of
algorithm runs without making any analytical assumptions on the
algorithm; to achieve non-vacuous bounds we only require that the certified reachable parameter set is bounded — a condition that we do not assume but formally verify. In practice, we demonstrate that our framework provides formal generalization guarantees that are orders of magnitude tighter than alternative sound computational approaches at scales ranging from toy
datasets to fine-tuning classification heads on top of modern large
language models. While we implement certification-enhanced versions of several well-known stability results, future extensions of our approach will enable tighter bounds and enhanced practical adoption across the spectrum of modern generalization bounds.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.RO
Encoded but Not in Control: Revealing the Grounding Gap in Vision-Language Robot Policies
Shaohan Jiang, Jiahang Cao, Qiduo He et al. (+9 more)
Instruction following is central to
language-conditioned
robot policies:
language should determine what to do when the same scene permits multiple valid actions. Yet successful execution alone cannot establish whether a policy follows the instruction or infers the task from the scene. We study this ambiguity through scene-preserving instruction interventions, using valid target substitutions, arbitrary nouns, and unrelated sentences while holding the scene fixed. We evaluate
vision-
language-action (VLA) policies and world-action models (WAMs) in simulation and in real-world experiments. Our analysis addresses three questions: (a) Does task success imply instruction following? When instructions request a different visible object, all evaluated policies predominantly approach and pick up the incorrect original target associated with the scene. (b) Is this failure caused by
language insensitivity? Instruction perturbations affect task performance. A layerwise action lens shows intermediate action predictions respond to these perturbations. Linear probes accurately recover instructed targets, indicating modified instructions are encoded despite rarely determining target selection. (c) Why does encoded
language fail to control action?
Attention analysis indicates weak instruction-
token contributions to action generation. Target-
token attention can remain focused on the original object, revealing a mismatch between target encoding and visual grounding. UMAP and shared non-negative
matrix factorization show target information remains accessible within representations increasingly organized by scene identity. Our findings expose a grounding gap concealed by nominal success and provide a diagnostic framework. They further establish a concrete criterion for progress: policies should reliably follow valid changes in user intent, even when they conflict with scene-favored behavior.
Read the full abstract ▾
All authors Shaohan Jiang, Jiahang Cao, Qiduo He, Fengting Deng, Kun Wu, Jingkai Sun, Jiaxu Wang, Qiang Zhang, Qihao Zheng, Chunfeng Song, Ping Luo, Andrew F. Luo
Machine Learning · Cross-listed from cs.RO
AUTOPILOT An Advanced Perception, Localization and Path Planning Techniques for Autonomous Vehicles Using YOLOv7 and MiDaS
Harshkumar Devmurari, Gautham Kuckian and Prajjwal Vishwakarma
Self driving vehicles have emerged as a reliable technology that has the capability to transform transportation and mobility. The development of self driving cars requires significant advances in a number of areas, including perception, localization, decision making, and control. This research paper is based on the project implementation of the combination of object detection using YOLO (You Only Look Once), depth sensing using MiDaS for the localization and perception of obstacles, perspective transform, and decision making for path planning in self driving cars. The contemporary state of the technology for object detection, depth sensing, localization, and path planning evaluates the performance of the combined system through simulations and experiments. The results show that the combination of YOLO and MiDaS provides a new robust system for object detection and depth sensing. This research paper contributes to the advancement of self driving car technology and provides new and innovative approaches to the perception and localization of obstacles in the environment. Keywords: YOLO, MiDaS, perception, localization, decision making
Read the full abstract ▾
Machine Learning
Parameter Estimation in Machining Dynamics with Regenerative Delay and Nonsmooth Friction using Physics-Informed Neural Networks
Meiyazhagan Jaganathan, Vikram Pakrashi and Aasifa Rounak
A multi-domain eXtended Physics-Informed Neural Network (XPINN) framework is developed for nonsmooth Delay Differential Equations (DDEs). This is the first implementation to demonstrate the efficacy of partitioning the temporal domain into subdomains of integer multiples of the characteristic time delay and progressively training the associated subnetworks while freezing previously learned parameters. The efficacy of the proposed framework is demonstrated using a machining dynamics model that incorporates both regenerative and nonsmooth frictional effects. Results demonstrate that the proposed multi-domain XPINN framework leads to better solution reconstruction in DDEs and improved parameter estimation compared to a generic PINN (SPINN) formulation. The proposed method works particularly well for extended temporal domains and non-constant history functions. The robustness of inverse XPINN (I-XPINN) is also assessed using reference data contaminated with Gaussian measurement noise. Results indicate that I-XPINN remains resilient to measurement noise and the physics-informed constraints guide the network toward accurately recovering the underlying dynamics. This demonstrates, for the first time, the potential of the proposed framework for reliable parameter identification in DDEs characterised by nonsmoothness and large time delays.
Read the full abstract ▾
Machine Learning
SO(3)-RoPE for Spherical Transformers
Christian Libner, Chase van de Geijn, Alexander S. Ecker et al. (+1 more)
Spherical data arise in many scientific applications. Often spherical
transformers disregard the geometry of the underlying spherical domain, causing distortions and coordinate singularities near the poles. We introduce SO(3)-RoPE, a relative positional
embedding that incorporates spherical geometry into
transformer attention through
unitary SO(3) representations. Our formulation is SO(3)-equivariant and compatible with FlashAttention, retaining efficiency of vanilla
transformers. On shallow water dynamics prediction over a rotating sphere, our SO3ViT outperforms an S2
Transformer baseline with lower errors and reduced runtime.
Read the full abstract ▾
All authors Christian Libner, Chase van de Geijn, Alexander S. Ecker, Maurice Weiler
Machine Learning · Cross-listed from q-bio.QM
APOD: reasoning-guided agentic population ordinary differential equation discovery for pharmacological digital twins
Romain Ferrara, Martin Soucail, Victor Gertner et al. (+7 more)
Establishing ordinary differential equations (ODEs) describing population data is a fundamental part of mathematical modeling in pharmacology, crucial to developing digital twins. However, doing so from sparse, noisy data is a slow, expert-driven task. Existing automated methods either search a restricted model space or ignore population inter-individual variability. Here we introduce APOD (Agentic Population ODE Discovery), a
language-model
agent that iteratively reasons over biological knowledge and fit diagnostics in an open-ended search space to discover a population digital twin (PDT), i.e., a shared ODE system with between-subject variability. On synthetic pharmacokinetic and tumor-dynamics
benchmarks, APOD recovered ground-truth structures in 94-100% of runs, 12-fold faster in median than an established library-based search. On real cohorts it converged to valid structures, and proposed a PDT of radioligand-therapy-induced platelet dynamics that predicts thrombocytopenia from first-cycle data and simulates alternative dosing schedules that lower the predicted risk of toxicity.
Read the full abstract ▾
All authors Romain Ferrara, Martin Soucail, Victor Gertner, Adil Moussali, Joris Cocquebert, Sandrine Oziel-Taieb, Julien Nicolas, Florence Gattacceca, Mihaela van der Schaar, Sébastien Benzekry
Machine Learning
LeAVJEPA: A Minimalist Architecture for Audio-Visual Self-Supervised Learning
Benjamin Robson, Santeri Mentu, Wenshuai Zhao et al. (+1 more)
Prior audio-visual self-supervised learning methods rely on mechanisms such as EMA target encoders, prediction heads, reconstruction decoders, and contrastive losses. We introduce LeAVJEPA, the first audio-visual encoder trained under LeJEPA's collapse-free objective. A single early-fusion
Vision Transformer processes audio,
video, and joint audio-
video inputs. Modality dropout treats a missing modality as another view of the same event, making cross-modal
alignment implicit in the objective. The model aligns global
embeddings with modality-specific local
embeddings, and SIGReg prevents representational collapse. A controlled ablation identifies modality dropout as the key mechanism for audio-visual
alignment. Despite the architectural simplicity, LeAVJEPA reaches 36.0 mAP on AudioSet-20K and 91.3% accuracy on ESC-50 under frozen evaluation. After fine-tuning, it reaches 61.1% accuracy on VGGSound, and its
embeddings support zero-shot audio-visual
retrieval.
Read the full abstract ▾
All authors Benjamin Robson, Santeri Mentu, Wenshuai Zhao, Arno Solin
Machine Learning
Sampling Allocation of LinUCB: Optimal Design Limits in the Small-Gap Regime
Yujie Liu, Vincent Y. F. Tan and Yunbei Xu
We study the sampling allocation of LinUCB in the small-gap regime, where the reward gaps are of order at most $n^{-1/2}$ over the decision horizon $n$. This scaling captures the hard instances underlying worst-case regret lower bounds, for which LinUCB is known to be near optimal up to logarithmic factors in $n$. Using a mean-field perspective, we characterize this allocation through the empirical sampling distribution, a macroscopic object that averages the effect of adaptive decisions over the horizon, and identify its limit as $n\to\infty$. We establish that in this regime, the empirical sampling distribution induced by LinUCB converges to the set of D-optimal designs. This central result reveals that, in the small-gap regime, LinUCB not only achieves near optimal minimax regret but also allocates samples in a way that is asymptotically efficient for learning the reward parameter, thereby connecting regret-driven online learning with information-efficient experimental design. Building on the optimal design limit, we obtain two useful consequences. First, we refine the asymptotic regret analysis of LinUCB in the small-gap regime by characterizing its leading-order constant in the limit. Second, we show that, despite LinUCB's adaptive sampling strategy, the regularized least-squares
estimator satisfies a central-limit-type
theorem in the small-gap regime, thereby enabling valid statistical inference for the reward parameter.
Read the full abstract ▾
Machine Learning
Structured Representation Learning for Behavior Cloning: How can we learn to safely control a nuclear power plant?
Perceval Beja-Battais, Alain Grossetête and Nicolas Vayatis
Learned models for industrial control are usually judged by aggregate accuracy, but accuracy at the component level does not guarantee safety once it is embedded in the system it is meant to serve. We study this gap on a behavior-cloning task: imitating an expert Nonlinear Model Predictive Control (NMPC) policy for load-following of a Pressurized Water Reactor (PWR), an industrial system with tight safety constraints. We propose a structured architecture encoding variables from each timescale into separate latent spaces, reflecting the physical decomposition of the system, before training a controller to imitate the expert on the product latent space. On long-horizon rollouts, separated
embeddings improve both accuracy and feasibility compared with a shared-
embedding baseline. Sensitivity analysis further shows that our model yields interpretable representations aligned with the system's physics. However, standalone deployment still leaves several percent of trajectories infeasible regardless of the architecture. Using our method to warmstart the NMPC optimizer rather than acting standalone, we recover full feasibility and near-optimal cost while still cutting computation time by $\sim$15% relative to the expert controller, and even more for abrupt operating changes.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.AI
Do Small Language Models Learn to Negotiate? A Controlled Scaling Study of RL-Trained Sellers
Pedro Tabacof and Sagar Joglekar
LLM
agents are starting to own the full customer experience. Soon, LLMs may be selling and buying on behalf of companies and customers respectively. Small models are more cost-efficient at scale, but can reinforcement learning train them into competent sellers? We train four Gemma 4 checkpoints (2.3B to 31B effective parameters) with GRPO on a programmatic utility reward for bilateral multi-issue bargaining, and evaluate every arm on the same 1,152 negotiations against two frontier buyers it never saw in training. With the same learning rate ($10^{-6}$) for every size, the gain of the RL model over its base rises from $+0.001$ at 2.3B to $+0.078$ at 31B. Each size was trained once and the two smallest checkpoints use a different architecture, so we fit no scaling law. Tripling the learning rate, with the same or fewer training steps, improves on the shared rate at every size by $+0.032$ (2.3B) to $+0.081$ (4.5B). In exploratory comparisons with two frontier models run as sellers, the 12B seller trained at the tripled rate scores above both, though its untrained base already scores as high as they do. The 4.5B seller at that rate shows no detectable difference from either and fits on one 48 GB GPU. A further 2.3B arm at ten times the shared rate raises pooled score, but its gain concentrates on the evaluation buyer that shares a model family with the training pool. These results suggest tuning the learning rate before concluding that a small model cannot learn to negotiate, and testing against buyers from more than one model family.
Read the full abstract ▾
Machine Learning
Loss-Invariant Projections as Passive Probes of Learned Representations
Akshay Chandrasekhar and Pavlo Melnyk
Learned feature representations in neural networks often contain structure beyond that directly used by the final task output. We study this structure using $\textit{passive probes}$ that apply fixed, untrained, property-independent projections to representations as they evolve during training. We motivate this approach through the task of prediction on $S^2$ where equivalent vector and Hermitian parameterizations reveal an additional loss-invariant trace coordinate. This motivates a general construction in which fixed random projections serve as observers of learned features. Because the observer is loss-invariant and independent of the property being studied, changes in accessibility reflect changes in the representation relative to the fixed observer rather than adaptation of the observer itself. We show that ensembles of passive probes can directly reflect task-relevant information such as target
alignment. Under our constructions, the accessibility of eventual difficulty evolves differently across tasks. It increases during training in the regression tasks of surface-normal estimation and image inpainting but remains near its initial level in image classification. Comparisons with learned linear probes further show that recoverability and passive accessibility can evolve differently during training. Together, these results show how passive probes can separately characterize changes in representation geometry and the accessibility of eventual task difficulty.
Read the full abstract ▾
Machine Learning
Two-Point Local Optimality in $k$-Means via Boundary-Point Screening
Wenlong Lyu, Xujie Xiao and Yuheng Jia
Lloyd's
algorithm and the discrete local (D-local) optimization method (Li et al., 2025) for $k$-means provide only weak local-optimality guarantees, and their solution quality remains sensitive to initialization. In this paper, we introduce $r$-point local optimality, under which no reassignment of at most $r$ samples decreases the objective function, and focus on $r=2$. The main computational obstacle is the $\mathcal{O}(n^2(k^2+d))$ cost of exhaustive two-point certification for $n$ samples in $d$ dimensions and $k$ clusters. To address this challenge, we prove that (i) every improving two-point move of a D-local optimum must involve a cluster shared by both reassignments, and (ii) only certificate-defined boundary points can participate in an improving pair. Exploiting this structure, we propose Boundary-Point-Screened Two-Point Local Search (BPS-2PLS), which terminates at a two-point local optimum. For fixed $k,d$ and nonvanishing cluster occupancy, the number $m$ of retained candidates satisfies $m=\mathcal{O}_{\mathbb{P}}(\log n)$ under i.i.d. sampling from a bounded-support distribution with bounded density or from a Gaussian mixture. Across twelve
benchmarks, BPS-2PLS attains the lowest available mean WCSS on ten. In a subsampling study, screening retains 0.10% to 2.81% of samples on average at the largest tested sizes. The code is available at https://github.com/lwl-learning/BPS-2PLS.
Read the full abstract ▾
Machine Learning
Anlu: Enabling In-Context Time Series Anomaly Detection in Foundation Models via Counterfactual Supervision
Tian Lan, Yifei Gao, Yimeng Lu et al. (+5 more)
Whether a time-series pattern is anomalous often depends on the operating regime of the monitored process. A missing event can signal a fault in one regime and be routine in another, and the query alone may not reveal which regime applies. We study in-context learning (ICL) for time series anomaly detection (TSAD) through reference-conditioned detection, where a reference record provides evidence about expected behavior and model parameters remain fixed at inference. Supplying the reference is not enough: when training anomalies are recognizable from the query alone, the detector can fit its targets while ignoring the reference. We therefore introduce counterfactual supervision, which pairs one query with two references that support different normal rules and labels the query under each. At positions where the two labels disagree, no detector that ignores the reference can fit both targets. Anlu learns from this supervision by adding a reference
memory and zero-initialized gated adapters to a frozen time-series foundation model (TSFM) pretrained for anomaly detection. On the 350 TSB-AD-U evaluation sequences, Anlu raises the mean VUS-PR of the frozen TSFM from 0.542 to 0.607. Replacing the reference with zeros lowers Anlu's score to 0.499.
Read the full abstract ▾
All authors Tian Lan, Yifei Gao, Yimeng Lu, Xuming An, Meng Wang, Yue Pan, Wenjun He, Chen Zhang
Machine Learning · Cross-listed from quant-ph
What Does It Cost to Simulate a Quantum Sentence Classifier? An Energy and Compute Perspective on Near-Term QNLP
Kishlay Kashyap and Sandipan Ganguly
Near-term
quantum natural
language processing (QNLP) experiments often run on classical simulators, so simulator cost is part of the field's practical compute burden, yet accuracy tables do not show it. We measure that cost for a variational
quantum classifier (VQC) on binary SST-2 sentiment classification, using PennyLane's state-vector simulator over a controlled grid of 27 configurations: three balanced training-set sizes (N = 200, 500, 1000), three
qubit counts (4, 6, 8), and three
circuit depths. Each VQC is compared with logistic regression on the same PCA-reduced input; full TF-IDF logistic regression gives an uncompressed reference. The VQC beats its matched baseline in 6 of 27 single-seed comparisons. After reruns at two further seeds, only 1 of these 6 keeps a positive mean advantage larger than its paired seed-to-seed variability, and paired tests on the fixed validation set do not establish it. VQC training is 886-21,127 times slower in measured wall-clock time than the matched classical fit (median 3,158 times); going from 4 to 8
qubits roughly doubles simulator time, and within the tested range per-step cost is well approximated by a linear function of the parameter count. CodeCarbon energy and CO2 estimates are secondary: they imply an almost constant power of about 41 W, so they add little beyond runtime, and we do not build an energy ratio from them. The study is narrow (one
dataset, representation, ansatz, simulator, and CPU environment) and is a reproducible feasibility measurement, not a general verdict on QNLP.
Read the full abstract ▾
Machine Learning
Anosognosia in LLMs: Probing Self-Awareness of Quantized Computational Substrate
Yoshihiro Izawa, Gouki Minegishi and Yoko Yamakata
Can LLMs recognize degradation in their own computational substrate? Inspired by anosognosia, a neurological condition in which patients fail to recognize impairments in their own abilities, we investigate whether LLMs can recognize degradation in their computational substrate induced by quantization. We first show that existing models fail to self-report their quantization state, even when provided with their own generated text as an external cue. Linear probing reveals that, while generated text carries almost no trace of quantization, internal representations contain clear, method-specific fingerprints. Through training, models learn to identify severely degraded outputs such as those of 4-bit models by comparison, yet still fail to do so from a single output. A shared LoRA trained jointly across quantization levels succeeded in reading out internal fingerprints, but fails on unseen quantization methods, merely mapping method-specific fingerprints to labels. Whereas external self-observation can restore awareness in some cases of human anosognosia, our results suggest that the more promising route to enabling such awareness in LLMs may lie in their internal representations. Our results highlight fundamental limits of generalizability to LLM self-monitoring.
Read the full abstract ▾
Machine Learning
TIGER: Time-Series Classification with In-Context-Learning Gated Ensemble of Representations
Johann Faouzi
A representation family is a distinct way of extracting features from time series. Ensemble
algorithms that combine several representation families remain the most accurate approach to time series classification. Current state-of-the-art ensembles, most notably HIVE-COTE~2.0, pair a bespoke classification
algorithm with each representation family and combine their predictions using a fixed, non-adaptive rule. We present TIGER (Time-series classification with In-context-learning Gated Ensemble of Representations), which instead applies the same small portfolio of three general-purpose classifiers (Ridge, Extra Trees, and Naive Bayes) to four representations from four distinct families, stacking the resulting twelve base learners' predictions into a meta-feature
matrix. The final prediction is produced by an adaptive meta-classification rule that chooses, independently for each data set, between a weighted hard majority vote and TabICLv2, a pretrained tabular foundation model used in-context as a meta-classifier, based on the mean number of training samples available per class. On a 142-data-set
benchmark drawn from the UCR time series classification archive, TIGER obtains the best mean accuracy, balanced accuracy, and F1-score among six compared
algorithms, including HIVE-COTE~2.0, and significantly outperforms each of the other five individually. TIGER's adaptive rule also meaningfully outperforms either of its two constituent meta-classification methods used alone, and its single hyperparameter, tuned using only a twenty-data-set development subset, is shown to generalize to the full evaluation
benchmark. We further characterize TIGER's design through an extensive set of ablation experiments and report the design alternatives that we investigated and ultimately discarded.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.AR
Reinforcement Learning-Based Optimization of Workload-Aware Power Delivery Networks
Oran Hayes, Maria Pantazi-Kypraiou, Athanasios Tziouvaras et al. (+4 more)
Power Delivery Networks (PDNs) are critical components of modern VLSI chips, providing stable voltage levels while satisfying electromigration (EM) and IR-drop constraints. Conventional PDN design methodologies typically rely on worst-case assumptions, often resulting in over-provisioned networks and inefficient use of resources. This paper presents a reinforcement learning-based framework for the optimization of workload-aware PDNs. The proposed methodology first generates workload-aware PDNs using architectural power traces obtained from system-level simulations. These power traces are mapped to spatial power density distributions, enabling adaptive allocation of PDN resources according to local current demand. A reinforcement learning
agent then performs wire-width optimization to minimize PDN area while maintaining EM and voltage integrity constraints. Electrical and reliability metrics are obtained using SPICE-based
circuit analysis and EM lifetime estimation. Experimental evaluation is performed on a
dataset of workload-aware PDNs generated from 4-, 8-, and 16-core multiprocessor floorplans using PARSEC and SPLASH-2
benchmark workloads. Furthermore, the proposed Deep Q-Network (DQN)-based optimizer reduces the average normalized PDN area by 47% while satisfying all EM and IR-drop constraints. Compared to simulated annealing, the proposed approach achieves comparable optimization quality while providing approximately 26$\times$ faster optimization.
Read the full abstract ▾
All authors Oran Hayes, Maria Pantazi-Kypraiou, Athanasios Tziouvaras, George Stamoulis, Anuj Pathania, Shreejith Shanker, George Floros
Machine Learning · Cross-listed from cs.AI
Impact of Data Augmentation on Confidence Calibration in Melanoma Classification
Morgan May, Simon Caton and Pierpaolo Dondio
Accurately quantifying the predictive uncertainty or improving model calibration plays an important role in medical image classification, in particular in melanoma diagnosis, where accurate uncertainty quantification can have significant implications for patient care. One of the methods for calibration improvement is data augmentation. In addition, data augmentation as a method for synthetically increasing the size of the
dataset has been proven to improve the performance of models trained on imbalanced
datasets. However, the impact of data augmentation, as a transformation of a part of the original data, on calibration of models trained on imbalanced
datasets, in particular in melanoma classification is under-explored. We train neural networks on SIIM-ISIC 2020 melanoma classification
dataset under two conditions: with and without data augmentation, and compare the differences in AUC and expected calibration error (ECE) in both scenarios. Our results shows improvements in uncertainty calibration using different augmentation methods.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.AI
On Impact of Loss Function on the Performance of Neural Networks in Melanoma Diagnosis
Morgan May, Pierpaolo Dondio and Simon Caton
Melanoma is the deadliest type of skin cancer, whose early diagnosis is crucial for patients' survival. Image classification using deep learning models has shown promising results for melanoma diagnosis. However, the performance of these models on the melanoma
datasets such as SIIM-ISIC melanoma classification
dataset is a challenge due to the class imbalance. One of the methods to deal with this challenge is using loss function modifications. In this work, we have investigated the effect of different loss functions on the performance of deep neural networks. We trained these networks using focal loss, logit-adjusted softmax cross-
entropy (CE) loss, and weighted softmax CE loss, and we report different metrics for evaluating performance and uncertainty calibration. Our results suggest that focal loss delivers a good combination of performance in terms of AUC and uncertainty calibration in terms of expected calibration error (ECE) simultaneously.
Read the full abstract ▾
Machine Learning
Co-Optimizing Graph Sparsification and Approximate Computing for Energy-Efficient FPGA-Based GCN Inference
Nathaniel Kaye Mellor, Shreejith Shanker and George Floros
Graph Convolutional Networks (GCNs) have emerged as a powerful framework for learning from graph-structured data, yet their deployment on resource-constrained edge platforms remains challenging due to the computational and
memory demands of sparse graph aggregation. This work presents an FPGA-based GCN accelerator that combines DSpar graph sparsification, 8-bit quantization, and approximate multipliers on the AMD Kria KV260. Evaluated on Cora, LastFM Asia, and Amazon Photo, the design explores the interaction between sparsification and approximation across graphs with widely varying densities. Results show that the effectiveness of approximate arithmetic is governed by accumulation depth within GCN computations. Approximate multipliers are most effective when applied to sparse aggregation operations, while graph sparsification further improves their viability by reducing aggregation depth. The combined approach achieves up to 9.88$\times$ speedup while maintaining 86.6% classification accuracy on Amazon Photo, and 1.52$\times$ speedup with 77.0% accuracy on Cora, with total power consumption below 1 W. These results demonstrate that graph sparsification and approximate computing are complementary techniques whose co-optimization enables efficient low-power GCN inference on edge FPGA platforms.
Read the full abstract ▾
Machine Learning
Machine learning for journal entry testing: A type-aware evaluation of anomaly detectors under a review budget
Jan Gronewald, Michel Scherer and Nijat Mehdiyev
Journal entry anomaly detectors are commonly evaluated on the full population with ROC-AUC, precision and recall, ignoring the review budget and which anomaly types are found. We propose a type-aware evaluation combining per-type recall, fair-share type recall (FSR), which caps each type's credit at its budget share, type coverage and first-hit rank. We evaluate nine unsupervised detectors, a supervised reference and feedback-driven Deep Semi-Supervised Anomaly Detection (DeepSAD) on four real client ledgers with injected typed anomalies and a public synthetic ledger. On the largest client ledger, principal component analysis (PCA), an autoencoder (AE) and a variational autoencoder (VAE) each place on average 98 anomalies among the first 100 postings, but at least 95.8 belong to one type. FSR instead favours a nearest-neighbour (kNN) detector and changes the top-ranked detector on three of four client ledgers. Representation also matters: one-hot encoding exposes unseen accounts, whereas frequency encoding leaves unseen contra accounts largely undetected. On the public ledger, the Histogram-Based Outlier Score (HBOS) and Empirical Cumulative Distribution-Based Outlier Detection (ECOD) reach all eight markings within 1,386 entries, whereas kNN, the hit leader at 1,000 entries, first reaches cross-linked clearing at rank 4,641, and the supervised row-level reference misses this marking within 1,000 entries. There, the adaptive DeepSAD review protocol raises mean hits per 100 reviews from 40.0 to 68.3 but type coverage only from 2.7 to 3.0. These findings show that high hit rates can conceal systematic blind spots and suggest that feedback can reinforce existing detection patterns without broadening anomaly coverage.
Read the full abstract ▾
Machine Learning
Integrating Survival-Based Aging Models with Data-Driven RUL Prognostics
Abhishek Srinivasan, Juan Carlos Andresen, Sepideh Pashami et al. (+1 more)
Predictive maintenance requires reliable remaining useful life (RUL) estimation. Existing methods mainly follow two paradigms: wear-based aging models that capture cumulative degradation and sensor-driven data models that reflect instantaneous health conditions, each providing only partial information. In this work, we propose a probabilistic fusion framework that integrates wear-based and sensor-based prognostic components through failure probability distributions. Based on explicit structural assumptions linking wear, latent health, sensor observations, and failure, we derive a principled combination rule that enables uncertainty-aware integration with adaptive weighting of the components. Experimentally, we assess this combination rule by learning the wear-based component using a parametric survival model and the sensor-based component using a 1D convolutional neural network (1D-CNN) with a post-hoc uncertainty model. Evaluation on multiple N-CMAPSS
datasets demonstrates that the fused model improves point accuracy, preserves the C-index, and produces narrower yet well-calibrated prediction intervals compared to either component alone. The results highlight the complementary roles of wear-based survival model and sensor-based deep learning model, and show that their probabilistic integration provides a structured pathway toward more robust and consistent prognostics over the life-time.
Read the full abstract ▾
All authors Abhishek Srinivasan, Juan Carlos Andresen, Sepideh Pashami, Anders Holst
Machine Learning
Mind the Drift: Diagonal Linear Networks Under Large Learning Rates
Aniket Sanyal, Tom Jacobs and Rebekka Burkholz
Large learning rates can qualitatively change the trajectory of neural network training, often pushing optimization into regimes far from classical gradient-flow behavior. The Edge of Stability (EoS) offers a valuable lens on the dynamics such learning rates induce. We study corresponding dynamics in diagonal linear networks, where we uncover a competition between two distinct implicit biases that jointly determine the sparsity of the recovered solution in regression settings. Complementary to the Gain, which captures the average discretization error accumulated by Gradient Descent relative to Gradient Flow, we derive a closely associated but overlooked quantity: the Drift. Under large learning rates, it describes an imbalance between different discretization errors and represents a systematic shift in the optimization trajectory. While the Gain grows monotonically in certain regimes, and can bias towards denser, flatter interpolators, the impact of the Drift depends on its
alignment with potential solutions, which can either counteract or reinforce the effect of the Gain. Consequently, its behavior drives model selection, particularly during early training epochs. To validate our theoretical insights, we introduce an intervention that actively steers the Gain to recover sharper, sparser solutions. Thus, our analysis reveals that large learning rates do not universally hinder the recovery of sparse solutions. On the contrary, they can be harnessed to control the implicit bias of training.
Read the full abstract ▾
Machine Learning
ORCA: The Annealed Spectral Conditioning Optimizer for Faster, Better LLM Training
Yuanshi Liu, Boyuan Jiang, Liang Hou et al. (+4 more)
Modern LLM optimizers such as
Muon often produce weight
matrices with higher effective rank than Adam, yet further spectral control has delivered only modest gains. We identify a tension behind this result: concentrated spectra can suppress gradient directions in coupled weight
matrices and slow optimization, while constraints maintained throughout training can limit task-specific adaptation and raise the attainable loss floor. We introduce ORCA (Orthogonal Regularization, Cooled After), a minimal optimizer intervention that applies strong but temporary soft orthogonality regularization early in training, then removes it. This allows the weights to benefit from a broader spectrum early on and adapt freely afterward. Across LLaMA, Qwen3, and fine-grained mixture-of-experts models ranging from 130M to 8B parameters, ORCA achieves lower final validation loss than
Muon. Its loss reduction relative to
Muon matches or exceeds
Muon's reduction relative to Adam. Ablations support the early-shaping, later-release design. Further, ORCA requires no architectural changes and adds minimal overhead.
Read the full abstract ▾
All authors Yuanshi Liu, Boyuan Jiang, Liang Hou, Xin Tao, Pengfei Wan, Zhouchen Lin, Cong Fang