Machine Learning
LithoFormer: A Robust Framework for Stratigraphic Inference via Transformers
Shwetha Salimath, Francesca Bugiotti, Sylvain Wlodarczyk et al. (+1 more)
Accurate geological characterization of subsurface reservoirs from well log data is essential to support projects such as carbon capture and storage (CCS), geothermal development, and extraction of natural resources. Existing automated techniques for geological characterization primarily use sliding-window classification, which limits their ability to understand broader geological contexts, often leading to misaligned formation layers. To overcome these limitations, we introduce LithoFormer, a robust framework for stratigraphic inference using a Seq2Seq
transformer model that ingests entire multivariate well logs in a single pass. The framework utilizes a channel-independent PatchTST backbone enhanced with rotary positional
embeddings (RoPE) to capture long-range geological dependencies across entire multivariate well logs. A decoupled multi-task head is employed to jointly predict geological zonation and precise boundary probabilities, while a geology-informed loss function enforces physical constraints such as the Law of Superposition. Validated and deployed on three real-world
datasets, LithoFormer demonstrates a 90% reduction in median boundary error and eliminates stratigraphic order violations compared to traditional sliding-window baselines. It also achieves a 80% reduction in manual expert labor and eliminates stratigraphic inconsistencies, providing a scalable and reliable solution for large-scale subsurface modeling.
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All authors Shwetha Salimath, Francesca Bugiotti, Sylvain Wlodarczyk, Sohaib Ouzineb
Machine Learning
A Multi-level Information Integration Framework for Physically Verifiable Fault Diagnosis of Rotating Machinery
Yuntong Chen, Jianyu Liu, Yingqi Li et al. (+5 more)
Integrating multi-level information, from physical models through data-driven diagnostics to natural
language reasoning, into verifiable decision chains is a growing need in intelligent manufacturing. In bearing fault diagnosis, taken here as a representative testbed, the standard output is a class label and a confidence score derived from the classifier's own distribution, offering limited means of comparison against independent physical knowledge. Meanwhile,
language models increasingly used for maintenance communication may introduce unsupported content. This work addresses both limitations from the output side. The proposed Diagnostic Evidence Network (DENet) is an encoder-agnostic multi-task framework that extends the output to a structured evidence record: the classification, a predicted characteristic frequency comparable against the theoretical value determined by bearing geometry and shaft speed, and a temporal localization of transient impulses inspectable on the raw waveform. Across four encoders and three public
datasets, this evidence incurs no statistically significant accuracy cost, with a frequency error of about 6 Hz on 1,024-point segments. The deviation between predicted and theoretical frequency constitutes a label-free, inference-time validation signal. It detects misclassifications with AUROC of 0.970 and 0.871, and retains separation within the high-confidence subset. Finally, a QLoRA-adapted
language model renders DENet's evidence into traceable maintenance reports without contributing diagnostic decisions, reducing unsupported-claim rates from 10-12% to 2% with no fabricated quantities observed.
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All authors Yuntong Chen, Jianyu Liu, Yingqi Li, Guobin Zhao, Ziang Wang, Chao Chen, Xitian Tian, Lijiang Huang
Machine Learning
Multimodal Domain Generalization for Depression Detection: An Attention-Based BiLSTM Network with Domain-Adversarial Training
Ali Tabaraei, Federico Simonetta and Stavros Ntalampiras
Automatic depression detection with deep learning has shown promise but often suffers from limited generalization due to domain shift arising from inter-speaker variability. To address this critical issue, we present the first patient-independent
multimodal depression detection framework that incorporates domain generalization (DG), jointly leveraging both acoustic and textual modalities. The proposed model integrates bidirectional Long Short-Term
Memory (BiLSTM) with intra- and cross-modal
attention mechanisms, accompanied by segment-level fusion for decision-making. Generalization is further enhanced by applying a gradient reversal layer inspired by Domain-
Adversarial Training of Neural Networks (DANN), which promotes domain-invariant representations by adversarially limiting the model's ability to identify individual speakers, effectively reducing patient-specific bias. Conducting experiments on the Androids-Corpus
dataset with a 5-fold cross-validation (CV) protocol, various pairings of audio and text feature extractors were evaluated over different segment durations, determining MelSpec and ItalianBERT as the optimal baseline at a 30-second segment duration. The addition of DG to this baseline yields a 2.5% increase in accuracy and 3.3% in F1-score, achieving 93.2% accuracy, 93.2% precision, 96.2% recall, and 94.2% F1-score, surpassing all existing
benchmarks. Extensive ablation studies assess the impact of
multimodal fusion, deep architectural choices, and DG, highlighting their combined contribution to robust and generalizable depression detection.
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Machine Learning
FMOPF: Latent Flow Matching with Constraint-Aware Interaction Priors for AC Optimal Power Flow
Zhilin Huang
AC optimal power flow determines the minimum-cost generation dispatch under nonlinear power balance constraints and is solved thousands of times daily in electricity
market operations. Learning a direct mapping from load conditions to OPF solutions can accelerate this computation, yet with deepening renewable penetration, a single optimal dispatch is no longer sufficient. Operators require a characterization of the distribution of feasible near-optimal solutions for risk quantification, sensitivity analysis, and multi-objective trade-off assessment. Supervised neural networks provide fast point predictions but cannot capture this conditional distribution.
Diffusion-based generative models can sample diverse solutions in principle, yet existing methods operating in the raw state space exhibit degraded solution quality and fail to scale beyond medium-sized systems. We identify the root cause as the conflation of two distinct tasks within a single model. Compressing the high-dimensional OPF solution
manifold is one task, and learning the conditional mapping from loads to that
manifold is another. This paper presents FMOPF, a framework that resolves this conflation by decoupling compression from generation through latent flow matching and by explicitly modeling load-state coupling through a Constraint-Aware Interaction Prior Network. Experiments on four IEEE test systems demonstrate that FMOPF provides the most effective Newton-Raphson warm starts, achieves the lowest tail risk among generative methods, and is the first such method to scale to systems with several hundred buses while preserving full feasibility. Ablation studies confirm that the latent generation pipeline is a necessary condition for physical feasibility and that the interaction prior functions as a late-stage tail-risk controller.
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Machine Learning
Optimizing Transformer Neural Network for Real-Time Outlier Detection on FPGAs
Ilia Sobakinskikh and Paul Alexander Bilokon
In this work, we explore how the inference time of a
Transformer Neural Network can be efficiently optimized with applications to real-time anomaly detection in financial time series. The financial time series are price series such as asset prices. Unfortunately, the data is often with errors or outliers that make the downstream data processing tasks useless, unstable or even harmful. Moreover, the amount of financial time-series data has been significantly increasing. Hence, there is a need for better data-cleaning methods in terms of accuracy and in terms of processing speed.
Transformers as a neural network architecture have achieved superior performances in many tasks such as Natural
Language Processing and Computer
Vision. Time series modelling and especially anomaly detection tasks can benefit from the features of
transformers architecture in multiple ways, including the capacity to capture long-range dependencies and interactions. Increasingly powerful hardware, such as field-programmable gate arrays (FPGAs), have seen increasing usage in recent years due to their reconfigurability and high performance. They can be efficiently utilized to speed up the computations of the
Transformer architecture. We explore different
Transformer architectures for time series modelling and how they can be efficiently implemented on an FPGA board (PYNQ-Z2). In particular, we examine the application of
Transformers to detect anomalies in time series and we show how they can be efficiently implemented on an FPGA board to minimize latency. The code is available at https://github.com/thxi/icl_thesis
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Machine Learning · Cross-listed from cs.AR
FusionML: Prefill, Not Decode - Mechanism and Boundaries of CPU+GPU Co-Execution on Unified-Memory Apple Silicon
Om Mohite
Apple-Silicon SoCs share CPU, GPU, and Neural Engine over one unified
memory system, raising the question of whether
transformer inference can be accelerated by splitting single operators across units. Prior attempts, including our own, failed or produced precision-confounded wins. We identify the cause: MLX's lazy-graph scheduler serializes cross-stream work whenever a CPU-stream operation consumes an unmaterialized GPU result inside one evaluation graph, so a row-split matmul that runs \x{1.38} faster with materialized inputs runs \x{0.66} slower than GPU-only inside a lazy graph; an eager materialization boundary restores concurrency (\x{1.34}). \sys{} implements a per-layer, contention-aware CPU+GPU row split for
transformer prefill built on this fix. Evaluated across five chips and three Apple-Silicon generations, community-replicated, the split accelerates Llama-shaped decoder-block prefill by \x{1.15}–\x{1.38}, unchanged at full 32-block depth, and reaches \x{1.18}–\x{1.25} faster time-to-first-
token on a real Qwen2.5-7B checkpoint served through stock MLX-LM, with
token-identical outputs and unchanged decode throughput. We characterize the boundaries equally carefully: decode cannot benefit, bound by shared bandwidth co-execution does not add; precision-matched training loses \x{0.86}–\x{0.97} on all five chips; ANE dispatch overhead excludes it at layer granularity; and a no-regression runtime gate becomes self-defeating under
memory pressure, where probing an alternative mode evicts the active mode's working set. Code, raw results, and generation transcripts are released.
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Machine Learning
What Softmax Throws Away: Mass-Aware Attention for Evidence Accumulation
Minwoo Yu and Young-guk Ha
High task performance does not show whether a model retains prediction-relevant structural information in its internal representation. Temporal graph models, for example, can achieve high future-link AUC while basic graph statistics remain difficult to recover from the same representation. We identify one source of this gap in the weighted averaging used by standard
attention: when an evidence pattern is repeated, the numerator and denominator grow at the same rate, so inputs with different amounts of accumulated evidence can produce the same aggregate. We propose Mass-Aware
Attention (MAA), which generalizes standard L1 normalization to an Lp family. Under repetition, MAA makes the numerator and denominator scale at different rates, retaining the effective number of contributing inputs in the representation magnitude. It adds no supervision, parameters, hidden dimensions, or explicit count features, and recovers standard
attention at p=1. Across four continuous-time dynamic graph models and three
datasets, MAA improves future-link AUC in 11 of 12 model-
dataset cells. Linear recovery from the same hidden representation increases by 4.49% on average, and preferential-attachment recovery improves in all 12
cells after family-wise correction. We also observe consistent evidence in marked temporal point processes, temporal knowledge graphs,
retrieval-augmented generation, and spatio-temporal point processes. Information accessibility and task utility remain distinct: NLL improves in MTPP, ranking is largely preserved in TKG, additional information in RAG does not improve the diagnostic head, and downstream LayerNorm can erase the signal in STPP. These results position MAA as a general normalization principle for improving predictor-facing representation informativeness by controlling repetition invariance in standard
attention.
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Machine Learning
Multimodal Surface EMG Hand Gesture Recognition Using Query-Based Transformers for Prosthetic Control
Federico Del Pup, Elisa Tentori and Manfredo Atzori
Hand gesture recognition via surface electromyography (sEMG) is fundamental to prosthetic control. In this field, deep learning approaches have become the gold standard. However, current architectures struggle to scale; model performance typically decreases as the number of hand movements increases. Performance degradation is tied to the increased statistical complexity of decoding expanded gesture sets and compounded by the limitations of state-of-the-art methods, which primarily rely on low-latency unimodal convolutional architectures. Convolutions operate locally, limiting model's ability to capture long-range sequential patterns. Unimodal setups cannot leverage complementary information from coordinated signals characterizing movement execution, such as inertial and eye-tracking data. These limitations motivate architectures that integrate local and global features across
multimodal physiological sequences. To bridge this gap, this study introduces EMG-CrossFormer, an end-to-end hybrid convolutional-
transformer for seamless
multimodal integration. EMG-CrossFormer combines representations from an arbitrary number of unimodal encoders through cascaded cross-
attention fusion layers, and decodes the fused representations using learnable gesture queries. EMG-CrossFormer was evaluated on four NinaPro
datasets (DB2, DB3, DB7, and DB10) and benchmarked against six state-of-the-art models using an increasing number of modalities. Using only sEMG, EMG-CrossFormer achieved mean accuracies of 72.33%, 52.48%, 79.16%, and 73.49% on DB2, DB3, DB7, and DB10, respectively. Incorporating inertial signals improved performance to 90.66%, 80.40%, 92.79%, and 92.06%. These results show that joint local-global feature modeling improves sEMG-only decoding and that
multimodal fusion substantially amplifies this benefit, underscoring the value of both design principles for complex hand gesture recognition.
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Machine Learning · Cross-listed from q-bio.NC
Subject-Level Heterogeneity in EEG Motor Imagery Decoding: A Large-Scale Benchmark and Portfolio-Based Reduction of the Search Space
Xavier Vasques, Paul Barbaste and Olivier Oullier
Robust
EEG motor imagery decoding remains limited by strong inter-individual variability, making it difficult to identify pipelines that generalize across users. We present a large-scale, standardized within-session
benchmark of decoding pipelines across three public
datasets: Cho2017 (52 subjects), PhysionetMI (109 subjects), and Zhou2016 (4 subjects). Using a common MOABB LeftRightImagery setting, two frequency bands (8-15 Hz and 8-30 Hz), and a broad combination of feature extraction, preprocessing, and classification steps, we analyzed 216,714 raw evaluation rows, which after structured aggregation yielded 44,928, 109,000, and 4,192 subject-level observations respectively. Covariance tangent-space projection (cov-tgsp) and Common Spatial Patterns (CSP) consistently defined the strongest methodological families, though their relative ordering was
dataset-dependent. On Cho2017, the best family-level mean accuracy came from cov-tgsp in 8-30 Hz (0.712 +/- 0.140), whereas Zhou2016 favored CSP (0.832 +/- 0.121 in 8-15 Hz). These aggregate rankings concealed substantial subject-level heterogeneity: 42 distinct winning pipelines across 52 Cho2017 subjects, and 93 across 109 PhysionetMI subjects. We then used the
benchmark as an empirical performance landscape for building compact portfolios of pipelines of size K. Several construction procedures were compared, including a ranking-based Top-K Mean heuristic and search-based strategies. Results were broadly consistent, with Top-K Mean giving the best trade-off. A single best global pipeline already retained 94.2% of the oracle in Cho2017 and 81.8% in PhysionetMI; at K = 12, oracle retention rose to 96.5% and 90.0%. The landscape is therefore subject-dependent, and this heterogeneity can be exploited through compact portfolios that make personalization more feasible.
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Machine Learning
LC-SEPLM: long-range contact-supervised adaptation for sequence-only protein representation learning
Chen Wang, Boming Kang and Qinghua Cui
Protein language models learn transferable sequence representations. However, because they primarily model contextual dependencies along amino-acid sequences, their training objectives do not explicitly constrain the model to learn three-dimensional residue contacts formed after folding . Here, we introduce LC-SEPLM (Long-range Contact-supervised ESM
Protein Language Model), which adapts ESM2 with LoRA and long-range residue-pair contact supervision while retaining sequence-only downstream inference. Pair-specific queries use cross-
attention over the complete sequence to extract global sequence context associated with long-range spatial contacts. To expose the model to diverse structural information, we trained LC-SEPLM on 500,000 AlphaFold Swiss-Prot
proteins. In downstream evaluation, LC-SEPLM improved all eight
protein-level tasks relative to ESM2. The largest gain occurred in remote-homology recognition, where macro-F1 increased from 0.6122 to 0.6769 (+0.0647, or 6.47 percentage points). On the official ESM-S EC
benchmark, LC-SEPLM also outperformed ESM-S with a maximum absolute gain of 0.1771. These results support residue-pair contact supervision as a bounded route for introducing structural information into
protein sequence representations while preserving sequence-only inference.
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Machine Learning
Predicting the Outcome of rTMS Depression Therapy using EEG Signals and CNN
Wael Korani, Md Fahimul Kabir Chowdhury, Sadam AlQadi et al. (+3 more)
Repetitive transcranial
magnetic stimulation (rTMS) is a non invasive therapy for Major Depressive Disorder (MDD). In this study, we generate images using two time frequency methods to represent
EEG signals:
Fourier-Bessel Series Expansion with Euclidean Distance (FBSE-ED) and Discrete Wavelet Transform (DWT). We propose an efficient deep learning classifier to predict the outcome of rTMS depression therapy. In this study, we use a private rTMS databases to train a lightweight custom Convolutional Neural Network (CNN) using 10-fold cross validation strategy in order to avoid any bias in our results. The results show that the FBSE-ED representation achieves the highest classification accuracy of 93.60%, outperforming traditional time-frequency technique (DWT). In addition, the proposed architecture with FBSE-ED image representation technique outperforms more complex
EEG-Specific deep learning models (EEGNet, DeepConvNet, SleepEEGNet) by 3.62-10.72% and pretrained models (Xception, DenseNet201, and MobileNetV2) by 23.03-27.35%. For more experiments, we utilize another private rTMS database as test database to show the robustness of the proposed model. Our results suggest that integrating advanced signal decomposition with deep learning can facilitate early prediction of rTMS treatment response and support more targeted clinical decision-making. The proposed framework is interpretable, computationally efficient, and well-suited for deployment in real-world local psychiatric clinics.
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All authors Wael Korani, Md Fahimul Kabir Chowdhury, Sadam AlQadi, Priyan Malarvizhi kumar, Reza Rostami, Reza Kazemi
Machine Learning
CC-AOS: Cost- and Horizon-Conditioned Amortized Backward Induction for Finite-Horizon Optimal Stopping
Tianwei Yu
Finite-horizon optimal stopping is a central problem in early time-series classification, where a system must decide at each sequence prefix whether the expected benefit of another observation justifies its acquisition cost. Existing data-driven backward-induction methods typically solve each cost-horizon operating point separately, so changing operating conditions requires repeated optimization and separate model stacks, making continuous cost adaptation and multi-horizon deployment inefficient. We propose CC-AOS (Cost- and Horizon-Conditioned Amortized Optimal Stopping), a structured amortized solver for a family of finite-horizon stopping problems with continuous costs and multiple horizons. CC-AOS learns a shared continuation-value model conditioned on the current state, absolute time, remaining horizon, and acquisition cost through joint amortized fitted backward induction. We establish that the exact value and continuation functions are nondecreasing, concave, and horizon-dependently Lipschitz in cost, encode these properties in the model architecture, and derive residual-based bounds on value and policy errors. Experiments on controlled Gaussian and time-varying non-Gaussian processes and the FordA engine-noise time-series
benchmark compare CC-AOS with representative per-operating-point backward-induction solvers and tuned static stopping rules. At six unseen FordA cost-horizon pairs, one CC-AOS checkpoint achieved a lower terminal-risk-plus-sampling-cost objective than independently fitted Convex Function Learning at all six pairs, with an average reduction of 15.75 percent, while matching the tuned static thresholds on average.
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Machine Learning
Dementia Etiology Diagnosis via Collaborative Meta Knowledge Enhancement
Siyuan Du, Mengxi Chen, Xinyang Jiang et al. (+6 more)
Although artificial intelligence (AI) has shown promising performance in several medical tasks, accurate dementia etiology diagnosis with AI remains challenging due to complex overlapping symptoms among diseases. Scaling up the
dataset size by combining the cross-center samples may bring a gain in the pursuit of performance, while the inherent data heterogeneity across centers or populations induces the conflict. Conventional multi-task learning paradigms offer a promising framework; however, they fail to consider critical meta information (e.g., site-specific acquisition and modality availability) to combat the heterogeneity. To address this challenge, we propose a Collaborative Meta Knowledge Enhancement (COME) framework for dementia etiology diagnosis, which injects multi-center acquisition semantics, source identifiers, and modality indicators as heterogeneity-aware
embeddings into a unified
Transformer architecture for scale-up training, enabling explicit modeling of heterogeneity. Besides, a trust-region constrained optimization scheme is designed to regularize the model from spurious correlations during training through a reference model. Across seven independent cohorts, our method achieves state-of-the-art in-domain performance with a mean macro-averaged AUC of 85.62% and a 4.29-point gain over the strongest baseline, while maintaining superior out-of-domain generalization under both cross-center and cross-sequence evaluations. Extensive validation also confirms the
alignment between model predictions and established biomarkers (amyloid, tau) and clinical severity, highlighting the potential of COME to enable robust and interpretable dementia diagnostics in real-world settings.
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All authors Siyuan Du, Mengxi Chen, Xinyang Jiang, Zilong Wang, Jiangchao Yao, Dongsheng Li, Ya Zhang, Lili Qiu, Yanfeng Wang
Machine Learning
DomainPilot: Domain-Level Loss-Guided Two-Stage Data Mixture Optimization for Efficient Language Model Fine-Tuning
He Zhang
The training efficacy of large
language models (LLMs) is fundamentally constrained by the quality and composition of training data. Existing dynamic data scheduling methods face critical limitations in industrial-scale pretraining and supervised fine-tuning (SFT): data selection incurs prohibitive O(N) costs on terabyte-scale corpora, mixture optimization schemes introduce severe I/O bottlenecks or require training auxiliary reference models, and sample-level reweighting strategies rely on loss signals that conflate noise, difficulty, and novelty. We present DomainPilot, a domain-level loss-guided two-stage data mixture optimization framework. DomainPilot introduces
token-level domain loss monitoring to capture per-domain learning dynamics during training without halting the data pipeline. Building on these signals, we propose a Scaling Law guided coarse optimization stage that fits domain-specific convergence curves and derives a principled prior for mixture adjustment. A subsequent Mixing Law guided fine optimization stage refines the mixture by modeling cross-domain interaction effects through controlled sweep experiments. The entire mechanism is realized via a patch-based architecture that injects domain-aware loss computation into existing training frameworks (e.g., MindSpeed/Megatron-LM) with only ~30 lines of framework-specific adapter code. We validate DomainPilot on the Qwen3-1.7B model during SFT. Compared to the original data mixture, our optimized mixture achieves improvements of +2% on MMLU-Redux, +1.8% on AIME24, +3.8% on LiveCodeBench v5, and +3.6% on BFCL v3, without increasing total data volume or training cost. These results demonstrate that domain-level training signals provide an effective, lightweight alternative to expensive data selection or auxiliary model training for mixture optimization.
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Machine Learning
First-Order In-Context Shapley: Scalable Data Auditing for LLM Alignment and Evaluation
Yunting Song, Matthew Watson, Moustafa Farid Alzantot et al. (+2 more)
Post-training
alignment of Large
Language Models is increasingly bottlenecked by data quality: preference and instruction-tuning corpora accumulate label noise, safety inversions, and inter-annotator contradictions that deduplication misses and full-corpus LLM judging cannot afford. While Data Shapley offers a principled valuation framework, exact computation requires intractable retraining, and
embedding surrogates like KNN-Shapley fail to separate high- from low-utility demonstrations ($\rho = 0.0003$ with generative utility). We introduce an inference-only valuation pipeline that computes the first-order term of an in-context cooperative game over semantic $k$-NN neighborhoods in $O(k)$ forward passes without parameter updates, correlating positively with multi-shot Monte-Carlo in-context Shapley on 100% of targets at 19x less compute. Projecting pairwise log-likelihood shifts onto a directed influence graph characterizes each record via three signals: outgoing Exemplifying Advantage, incoming Exemplified Advantage, and a topological One-of-a-Kind Score protecting rare
prompts. Pre-filtering restricts LLM twin arbitration to 1%-5% of records while achieving 4.5x enrichment in confirmed errors on HelpSteer2 and 2.2x on Anthropic HH-RLHF, catching contradictions that zero-shot likelihood and margin filters miss. During DPO training, confirmed contradictions oppose the update far more often than clean records (56.7% vs. 37.0% in LoRA gradients) and stay below chance in reward accuracy. Finally,
auditing the HH-RLHF
benchmark exposes label errors where aligned models disagree with human labels 73%-83% of the time, and retraining DPO after repairing or filtering flagged records improves reward accuracy by +0.5%-0.6% overall and +3.1%-3.5% on repaired inversions, even without LLM arbitration.
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All authors Yunting Song, Matthew Watson, Moustafa Farid Alzantot, Peter Grabowski, Jun Qin
Machine Learning · Cross-listed from cs.IR
PinEqualizer: Full Funnel Content Exploration and Debiasing System at Pinterest
Olafur Gudmundsson, Bo Zhao, Huayi Liao et al. (+15 more)
In this paper, we propose a new solution for addressing the content cold-start problem in industry-scale search and recommender systems. Compared to prior approaches, we have made the following new contributions: 1) our solution spans the entire multi-stage funnel and generalizes well for both search and recommendation surfaces, 2) our solution reduces bias favoring existing content, allowing more accurate model prediction across content types and reducing short-term tradeoffs associated with high volumes of explicit content exploration, 3) our solution is evaluated with a scalable measurement framework that enables fast short-term experimentation while validating long-term impact. We have iteratively built and successfully deployed this new system at Pinterest in the past two years and observed significant improvements in fresh content exploration, overall user engagement, and content ecosystem health.
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All authors Olafur Gudmundsson, Bo Zhao, Huayi Liao, Anna Kiyantseva, Sai Xiao, Heath Vinicombe, Mostafa Keikha, Luke DeLuccia, Zihao Chen, Junpeng Hou, Weijie Jiang, Bhawna Juneja, Andreanne Lemay, Wei-Ting Lin, Keyvan Moghadam, Jiaxing Qu, Zhiqing Rao, Zhihua Zhang
Machine Learning · Cross-listed from quant-ph
Quantum Spectral Model: Data Reuploading with Input-Conditioned Frequency Support
Peiyong Wang, Udaya Parampalli and Casey R. Myers
A central design principle in modern machine learning and artificial intelligence is to align a model's inductive bias with the structure of its input data. For
matrix-valued inputs, relevant
matrix-level relationships can be characterised through spectral values and spectral subspaces; however, common coordinate-wise rotation-gate data-encoding
unitaries used in most
quantum machine learning models do not explicitly construct such a
matrix-level representation. We introduce
Quantum Spectral Models (QSMs), in which we construct the generator of the data-encoding
unitary directly from each input
matrix. We study three QSM variants based on symmetric, global block, and non-overlapping patch-local block
Hamiltonians. Their outputs admit truncated
Fourier representations in which input-dependent spectral gaps supply candidate phase carriers, while spectral subspaces help determine their coefficients. We evaluate the QSMs and comparison
quantum models on two
matrix representations of Pendigits and two controlled synthetic tasks defined by spectral statistics. At the largest evaluated
circuit depth, QSM variants lead the tested
quantum models in mean test accuracy across all four
benchmarks. The patch-local QSM leads on Pendigits, whereas the global block-
Hamiltonian QSM leads on the controlled spectral tasks. Ablations show a task-dependent reversal: subspace-preserving controls perform better on Pendigits, whereas spectral-value-only controls lead among the tested ablations on the synthetic tasks. Together, these results shed new light on
quantum machine-learning model design by showing how input-conditioned spectral representations can provide an analysable inductive bias, while offering a broader perspective on structure-aware model design in machine learning and artificial intelligence.
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Machine Learning
Dysphagia Risk Stratification in Head and Neck Cancer via Two-Stage PRO-Clinical Stacking
Siyuan Zhao, Eric Ababio Anyimadu, Zachary G. Brumm et al. (+5 more)
Dysphagia is a debilitating late effect of head and neck cancer (HNC) treatment, yet timely identification of at-risk patients remains challenging in survivorship care. Definitive assessment relies on videofluoroscopic imaging, as captured by the Dynamic Imaging Grade of Swallowing Toxicity (CTCAE-DIGEST), which, while validated, requires specialized equipment, trained personnel, and significant patient burden, limiting its routine use in surveillance. Patient-reported outcomes (PROs), by contrast, are low-cost, scalable, and easily collected at any clinical encounter, making them an attractive alternative signal for identifying patients who may warrant further evaluation. However, a clear clinical framework for translating PRO responses into actionable interventions is still evolving. In particular, uncertainty remains regarding when a patient's self-reported symptom burden should
prompt escalation of care. This study addresses this gap by formulating a single-visit PRO-clinical prediction framework and introducing a clinically interpretable two-stage stacking model to predict swallowing impairment risk using PRO responses and structured clinical variables, without requiring videofluoroscopic imaging. The proposed framework quantifies the independent contributions of patient-reported symptoms and clinical factors within a unified and interpretable risk assessment model. Our findings demonstrate that individual MDADI responses contain predictive information beyond that captured by composite or global summary scores, while interpretability analyses reveal symptom patterns and clinical risk factors associated with swallowing impairment. Together, these results support the use of structured PRO-clinical integration as a practical, imaging-free approach for dysphagia risk stratification in HNC survivorship.
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All authors Siyuan Zhao, Eric Ababio Anyimadu, Zachary G. Brumm, Yue Ma, Clifton David Fuller, Xinhua Zhang, G. Elisabeta Marai, Guadalupe Canahuate
Machine Learning · Cross-listed from stat.ML
CausalSmith: A Formally Grounded, Self-Improving Agentic Framework for Automated Research in Causal Inference
Jiyuan Tan and Vasilis Syrgkanis
Automating theoretical research requires generating candidate results and evaluating them reliably. Models keep getting better at the first, while the second remains hard. A common approach asks one large
language model (LLM) to review what another produced, yet such reviewers are empirically unreliable: they may accept fabricated papers and catch the fabrication at close to chance rates~\citep{badscientist2025}. We present CausalSmith, a framework for automated theoretical research in causal inference built on the Lean proof assistant, where a proof is checked by a program rather than read by a referee. CausalSmith rests on Causalean, a foundational Lean library for causal inference holding 8,179 machine-checked definitions and
theorems, developed with
language-model assistance under human design and review. Around it, we build a self-improving agentic pipeline that selects research topics, proposes results, formalizes statements, constructs proofs, and presents the resulting artifacts for human inspection. Moreover, the pipeline pairs Lean verification with a statement audit that compares each formal
theorem against the informal claim behind it. We evaluate the system using artifacts produced by completed autonomous research runs. The source code, formal library, and run records are available at https://github.com/Jiyuan-Tan/CausalSmith.
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Machine Learning
Interpretable EEG biomarkers with bag-of-waves: Spatial and temporal waveform dictionaries for low-data regimes
Athanasios Papastathopoulos-Katsaros, Steven T. Lee, Lin Yao et al. (+4 more)
Electroencephalography (
EEG) is widely used to diagnose neurological conditions, but its analysis usually relies on either predefined spectral features or deep neural networks. Predefined features carry a strong bias, since they fix in advance what counts as informative, while deep neural networks and foundation models are hard to interpret and need large amounts of data and compute. We present bag-of-waves, an interpretable framework that learns a small dictionary of recurring
EEG waveform templates, called atoms, using shift-invariant k-means without labels. The continuous
EEG is then turned into a sequence of atom
tokens, whose counts feed a simple downstream classifier or clustering step. We extend this representation in two ways: we add atom-to-atom transitions, which we call n- grams, to capture temporal structure, and we move from single-channel atoms to regional and cross-channel spatial atoms for the multichannel case. We test the method on three complementary
datasets, each probing a different aspect: single-channel mouse genotype clustering with only sixteen animals (the low-data and temporal case), resting-state dementia classification (the spatial case), and the TUEV
benchmark, a six-way classification of clinical
EEG events (a high-data comparison against strong deep and foundation baselines). Across all three
datasets, bag-of-waves achieves performance competitive with state-of-the-art deep and foundation models. Yet, it operates with a fraction of the parameter count and provides full interpretability: because every atom corresponds to an inspectable waveform, the method explicitly recovers known clinical morphologies that a neurophysiologist can directly validate. Its main advantage is that it works in the low-data regime where heavier models are a poor fit.
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All authors Athanasios Papastathopoulos-Katsaros, Steven T. Lee, Lin Yao, Ajay Thomas, Junseok Park, Matthew J. McGinley, Zhandong Liu
Machine Learning
Susceptible Reservoir Architectures for Regime-Conditional Volatility Forecasting
Aliaksei Kaliutau
Volatility forecasting is dominated by persistence and measurement noise, leaving limited residual structure for nonlinear models to exploit. We introduce Susceptible Architectures (SUSA), a reservoir-design principle for
volatility forecasting, and its two concrete implementations, based on complex-valued open-chain and periodic reservoirs and regime-conditioned experts to interpret reservoir features across calm, onset, recovery, and persistent-stress states. We also implement open-system $q$-
qubit counterparts in Qiskit while retaining a common AR-Ridge anchor and a bounded residual correction trained under QLIKE. We evaluate models on 16 U.S. equity and exchange-traded-fund series using three disjoint chronological training, validation, and test folds, a 12-observation input window, and a five-observation forecast horizon. The proposed models perform competitively with GARCH, achieving statistically significant QLIKE improvements for specific assets (IWM, XLP). Also models' forecasts complement HARQ-style predictions: a stacked ensemble improves mean QLIKE by 0.0116 over its strongest constituent and wins in 75% of test scenarios.
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Machine Learning
ąppa}-LoRA: Condition Numbers Reveal Which LoRA Matrices Worth Updating
Jianghui Wang, Silong Yong, Francesco Orabona et al. (+3 more)
Low-Rank Adaptation (LoRA) has become a widely adopted technique for efficient neural network fine-tuning, decomposing model updates into low-rank
matrices. However, LoRA remains computationally costly because it updates all
matrices uniformly, regardless of their actual contribution to adaptation. This cost is especially prohibitive for large-scale models with billions of parameters and for resource-constrained settings such as edge deployment and on-device fine-tuning. We show for the first time that not all LoRA
matrices are equally worth tuning:
matrices with smaller condition numbers (the ratio of largest to smallest singular value) are already well-balanced across directions and contribute only marginally to adaptation, whereas
matrices with larger condition numbers contain underdeveloped directions that span richer subspaces and drive most of the performance gains. This observation itself is a key contribution of our work, and it motivates a more selective approach to fine-tuning. Building on this insight, we propose ąppa}-LoRA, a method that optimizes LoRA by focusing updates on the
matrices with the largest condition numbers, which capture the most informative directions of change. By restricting LoRA updates to the top 50% of weight
matrices ranked by condition number, ąppa}-LoRA halves the trainable parameter count and correspondingly reduces compute and
memory cost. Extensive experiments across multiple
benchmarks show that this design cuts fine-tuning time by 16.2% on average while matching the accuracy of standard LoRA and reducing
memory cost by 4.5%. Further analysis reveals that the condition numbers of the selected
matrices consistently decrease over training, suggesting that ąppa}-LoRA's effectiveness stems from targeted spectral rebalancing rather than parameter selection alone.
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All authors Jianghui Wang, Silong Yong, Francesco Orabona, Marco Canini, Katia P. Sycara, Yaqi Xie
Machine Learning · Cross-listed from math.NA
Singular value soft-thresholding via the polar decomposition
Stephen Becker
Singular value soft-thresholding can be computed via a reduction to the
matrix polar decomposition, which allows one to exploit GPU-friendly
algorithms for computing the polar decomposition. Empirically, there is a significant speed-up on GPUs compared to the standard approach using the SVD. We leave the investigation of robustness to future work, but note that due to the discontinuous nature of the sign function, the reduction to the polar decomposition is likely only suitable for low-accuracy applications.
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Machine Learning
Beyond Negative-Ridge Endpoints: Mixed-Sign Spectral Regularization via Negative-Shifted Gradient Descent
Peng Zhao
In overparameterized linear regression, many weak spectral directions act like a ridge penalty on the signal-bearing spectrum; negative ridge is the natural correction, pushing filters above one. The stable negative-ridge endpoint, however, is structurally limited: its pole must stay below the smallest nonzero empirical
eigenvalue, and it anti-shrinks smaller
eigenvalues more than larger ones. Early-stopped negative-shifted gradient descent escapes this constraint. Its filter is smooth at the would-be pole and mixed-sign-capable: above-ridgeless directions form a leading prefix, with lower directions shrunk or exposure-controlled while stopping sets the crossover. In a Gaussian spike-plus-flat model we discover a Marchenko-Pastur barrier: the shift that cancels the implicit penalty lies a bulk width above the smallest empirical
eigenvalue, and the stopped path improves on every admissible endpoint by a
polynomial factor in risk under explicit conditions. Our main
theorem permits a general high-effective-rank tail: its trace sets the implicit floor, its squared spectrum controls exposure, and the floor-critical path recovers all head scales at once, beyond positive shrinkage and, once scales separate, every uniform rescaling of ridgeless. Handling the noncontractive shifted dynamics is the central technical challenge; localized Duhamel integrals control them. A finite-grid hold-out inequality transfers the separations to the validation-selected
algorithm.
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Machine Learning
Complexity Bounds and Approaches to Learning Projected Gradient Descent Solver Iterates
Anjian Li and Ryne Beeson
Data scarcity poses a fundamental challenge in training generative models to produce initial guesses for parametric optimization problems that are otherwise numerically expensive to solve. We therefore study a $k$-neighborhood data collection strategy that augments
datasets of converged solutions with intermediate solver iterates, increasing the amount of training data without additional solver runs. To understand the benefits of this approach, we derive a generalization bound based on Rademacher complexity that reveals the role of the $k$-neighborhoods and related parameters. To achieve this result, we focus on one-sided box-constrained quadratic programs solved by projected gradient descent. We illustrate the behavior of this solver on two examples. The approach proposed in this paper enables a more capable DDDAS paradigm by improving the efficiency of the data-model-optimization loop. We finish by discussing two views of learning solver-iterate data and connect our analysis with GLENS, a new data-efficient global search method.
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Machine Learning · Cross-listed from cs.AI
ORACLE: Agentic AI Orchestrator Routing Via Adaptive Verifier Calibration Feedback
Ritik Raj, Souvik Kundu, Dheemanth Joshi et al. (+1 more)
Modern enterprise
agent deployments consist of a heterogeneous pool of large
language models (LLMs) having diverse capabilities and cost. Existing model routing strategies optimize the quality-cost trade-off, while providing request-level static decisions. More recent solutions address agentic routing as a task-level selection with a serial verifier based router feedback loop. However, their fixed verifier suitable for homogeneous workloads may not generalize to heterogeneous batches of agentic tasks (example: coding, general conversational). Additionally, due to the verifier placement in the critical path of the loop, serving quality may be affected during multiple concurrent requests routing. To mitigate these issues, we present ORACLE. It is a concurrency-aware online routing mechanism that aligns adaptive routing with adaptive verification for feedback. ORACLE acts as a training-free drop-in 'feedback loop' on top of any model-selection policy to first classify the task type and then dynamically assigns a task-appropriate verifier. Further, we develop a delayed feedback strategy for concurrent requests that largely removes verifier latency from the dispatch critical path. We then present a post-routing dispatch scheduler, namely DISC. DISC reserves each task's peak KV footprint at admission and dispatches to an alternate backend when the reward gain from reduced wait exceeds the reward loss from lower accuracy. Extensive evaluation on SWE-bench, tau2-bench, and Terminal-Bench 2.0 shows that ORACLE improves the accuracy-cost frontier by up to 7 percentage points over state-of-the-art routing baselines, while ORACLE with DISC improves program throughput by up to 1.8x. To facilitate reproducibility and support future development, we open-source the code-base of ORACLE at https://github.com/ORACLE-org/ORACLE.
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All authors Ritik Raj, Souvik Kundu, Dheemanth Joshi, Tushar Krishna
Machine Learning
Phylogenetic signal in marine mammal and bird vocalizations captured by audio foundation models: the limited benefit of domain-specific pretraining
Víctor Rincón Yepes
Do learned audio
embeddings encode structure that nobody told them to encode? We probe four large pretrained audio models (AST, CLAP, BEATs-bio and BirdNET) with a downstream task none of them saw during training: recovering phylogenetic distance from species vocalizations. If the geometry of the
embedding space tracks the tree of life, the representation is picking up something deeper than the labels the model was optimized for. We run Mantel tests across two independent radiations. In 32 marine mammal species (1,754 recordings from the Watkins Marine Mammal Sound Database) the foundation models recover strong phylogenetic signal within the 26 cetaceans (CLAP r=0.82, BEATs-bio r=0.82, AST r=0.74; all p<0.001), among the highest acoustic-phylogenetic correlations reported for any taxon. Hand-crafted MFCC features (105d) find nothing (r=0.040, p=0.338). The gap survives after PCA-projecting every
embedding down to 105 dimensions, so it is not an artefact of representation size. It also survives a partial Mantel test controlling for dominant frequency (partial Mantel r=0.404, keeping 97% of the variance explained), so it is not just pitch in disguise. We repeat the analysis on 20 bird species using the Jetz et al. (2012) phylogeny, and this time add BirdNET, a classifier trained end-to-end on around 6,000 bird species. The general-purpose foundation models recover the signal again (AST r=0.55, CLAP r=0.52). The unexpected result is that neither BirdNET nor the bioacoustic BEATs-bio beat them (r around 0.32 to 0.36). Matching the training domain to the target taxon does not, by itself, help. Pretrained audio
embeddings carry evolutionary information across two independent radiations, and domain-specific pretraining is not required for it to emerge.
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Machine Learning
Hyperball May Not Be a Free Lunch
Yihao Xiao, Jialong Sun, Zitian Gao et al. (+5 more)
For scale-invariant deep networks, Hyperball-style optimizers have shown strong performance in large-scale training by fixing the norms of
matrix-valued parameters and normalizing updates. However, the source of their advantage remains unclear. Starting from the angular displacement between consecutive parameter states, we derive an angular effective learning rate that accounts for the parameter-update angle, parameter norm, and update norm. We also show that the conventional norm-based measure is a special case under parameter-update orthogonality. We then decompose optimizer updates into radial and tangential components and analyze how radial updates affect one-step angular displacement. Under the training configurations considered, numerical results show that the radial component has only a limited direct effect on the angular effective learning rate. It therefore cannot explain why MuonH converges more slowly than MuonWD early in training but overtakes it later. To further isolate the underlying mechanism, we devise a heuristic experiment that modifies only the learning-rate schedule so that the dynamics of each optimizer reproduce those of the other. The results suggest that their main difference stems from the
evolution of the effective step size rather than an intrinsically superior update direction induced by Hyperball. Our pretraining experiments further show that more aggressive learning-rate decay can accelerate MuonH early in training but may impair its later performance. Thus, maintaining a constant angular velocity does not eliminate the learning-rate-scheduling problem; careful scheduling remains essential to realizing the potential of Hyperball-style optimizers. Our code is publicly available at https://github.com/mangocrazz/hyperball-may-not-be-a-free-lunch.
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All authors Yihao Xiao, Jialong Sun, Zitian Gao, Zeming Wei, Chutian Wang, Ran Tao, Jiaye Teng, Bryan Dai
Machine Learning · Cross-listed from stat.ML
Graph-Based Correlation Matrix Generation: A Convex Optimization Approach
Ali Fakhar, Kévin Polisano, Irène Gannaz et al. (+1 more)
This work addresses the generation of theoretical correlation
matrices with prescribed sparsity patterns associated to graph structures. We propose a novel convex optimization framework in which an initial
matrix is projected onto an elliptope under a positive semidefiniteness constraint. Several numerical schemes are implemented and compared. The problem falls within the broader class of
matrix completion, where off-diagonal entries corresponding to absent edges are fixed to zero and diagonal entries are fixed to one. Beyond this structural constraint, the approach offers greater flexibility than existing methods by allowing control over the mean of the off-diagonal entry distribution, enabling the generation of correlation
matrices that better reflect realistic data. This procedure is not designed to yield a uniform distribution over the feasible set; rather, it provides a principled and tunable way to construct correlation
matrices suitable for benchmarking statistical methods for graphical model inference. Theoretical guarantees on the existence of solutions are established, both in the general setting and under the additional mean constraint. Simulation studies illustrate the properties of the generated
matrices with respect to graph structure. The methodology is applied to two real-world
datasets from neuroscience and finance, and a comparison with GAN-based correlation
matrix generation is provided.
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All authors Ali Fakhar, Kévin Polisano, Irène Gannaz, Sophie Achard
Machine Learning
On the Identifiability of Controlled World Models
Xiangteng Zhang, Yang Guan, Bo Zhang et al. (+3 more)
World model serves as a promising tool to infer environment dynamics under high-dimensional observations and candidate actions. Recently, LeCun's JEPA provides a compelling framework for learning such models in representation space. Its action-conditioned extension plays a central role in visual control and latent-space planning, but leaves a fundamental question: can it recover the controlled dynamics from nonlinear observations? This paper presents a joint identifiability condition for controlled world models with Gaussian latent states, which consists of two coupled components: (1) representation identifiability and (2) transition identifiability. The former depends on the spectral separation property while the latter is related to non-degenerate variation of conditional action. We prove that when this condition holds, minimizing the LeJEPA-style predictive objective can recover both latent states and controlled dynamics in the sense of orthogonal transformation. We further prove that the upper bound of transition prediction error is inversely proportional to the spectral separation margin. We also characterize an attainable amplification of counterfactual prediction error that scales inversely with the weakest conditional action-excitation margin. The theoretical predictions are empirically supported across four nonlinear observation settings.
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All authors Xiangteng Zhang, Yang Guan, Bo Zhang, Hongyang Li, Ya-Qin Zhang, Shengbo Eben Li