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Oct 21

Periodic Trends and a Physics-Based Multistage Search for High-$T_c$ Hydride Superconductors

Hydrogen-rich materials under pressure are candidates for conventional phonon-mediated superconductivity, but first-principles electron--phonon-coupling (EPC) calculations are computationally demanding. We develop an interpretable multistage workflow for prioritizing binary hydride superconductors before full EPC calculations. Using controlled cubic X_mH_n prototypes at 200~GPa, we introduce the spectral moment A_1 as an intermediate measure of electron--phonon perturbation strength. In its linewidth-based construction, A_1 remains finite as harmonic phonons soften, allowing related structures with imaginary harmonic modes to be screened; it does not establish superconductivity or physical realizability for unstable structures. For dynamically stable cubic systems, A_1 correlates strongly with the H-1s density-of-states fraction at the Fermi level, α, a projected Fermi-surface descriptor, β, and atomic number density, ρ. These trends are summarized heuristically by A_1approx hαβρ, where h is framework- and pressure-dependent; the descriptor is used for ranking, not as a universal T_c predictor. We incorporate αβρ and enthalpic competitiveness into a three-stage evolutionary search comprising multiobjective structural screening, harmonic-phonon stability filtering, and coarse density-functional perturbation-theory (DFPT) EPC calculations. Application to more than 100,000 binary hydride structures at 50 and 200~GPa identifies candidates and prioritizes NaH_6 structural families. Higher-accuracy calculations show that Pm3m NaH_6 is dynamically stable down to 50~GPa and has a harmonic Allen--Dynes estimate of T_capprox230~K. The framework combines electronic descriptors with progressively more expensive stability and EPC calculations for scalable hydride exploration.

  • 2 authors
·
Sep 27

Schema-Adaptive Action-Conditioned JEPA for Cross-Machine CNC Transfer under Partial Sensor Overlap

Cross-machine deployment of industrial world models requires transfer across changes in dynamics, sensing interfaces, sampling regimes, and control units. We study a schema-adaptive action-conditioned Joint-Embedding Predictive Architecture (SAAC-JEPA) for CNC dynamics, where the source machine has 17 canonical sensor channels and the target shares only 10. Evaluation uses group-disjoint source splits, source-only normalization, held-out self-supervised validation, unit audits, and a sealed target test after model locking. Across five seeds, JEPA pretraining gives no clean-source forecasting gain: scratch and pretrained-body models obtain \(RMSE=0.811\pm0.022\) and \(0.813\pm0.022\). A source-only search over 20 candidates selects a schema-consistent action-conditioned JEPA after seven-seed stability checks. On the confirmatory target pass, the locked model reaches zero-shot \(RMSE=0.546\), \(R^2=0.012\), and \(NLL=0.52\), outperforming persistence but not RevIN-equipped PatchTST and iTransformer baselines (\(0.503\) and \(0.498\)). A pre-declared paired ablation shows that RevIN in the same architecture improves RMSE to \(0.495\pm0.004\) over three seeds, but degrades target calibration (\(NLL=20.6\)) on stationary context windows. A pre-lock adaptation sweep further reduces RMSE to \(0.520\) with limited target support. These results show that source-domain forecasting accuracy alone is insufficient to assess industrial predictive representations, and that cross-machine adaptation under partial sensor overlap is a distinct evaluation axis.

A Co-Evolutionary Theory of Human-AI Coexistence: Mutualism, Governance, and Dynamics in Complex Societies

Classical robot ethics is often framed around obedience, most famously through Asimov's laws. This framing is too narrow for contemporary AI systems, which are adaptive, generative, embodied, and embedded in physical, psychological, and social worlds. We argue that future human-AI relations should be understood not as master-tool obedience, but as conditional mutualism under governance: a co-evolutionary relationship in which humans and AI systems can develop, specialize, and coordinate while institutions keep the relation reciprocal, reversible, psychologically safe, and socially legitimate. We synthesize concepts from computability, machine learning, foundation models, embodied AI, alignment, human-robot interaction, ecological mutualism, coevolution, and polycentric governance. We then formalize coexistence as a multiplex dynamical system across physical, psychological, and social layers, with reciprocal supply-demand coupling, conflict penalties, developmental freedom, and governance regularization. The model gives conditions for existence, uniqueness, and global asymptotic stability of equilibria. Deterministic ODE simulations, basin sweeps, sensitivity analyses, governance-regime comparisons, shock tests, and local stability checks show that governed mutualism reaches high coexistence with zero domination, while absent or excessive governance can produce domination, weak-benefit lock-in, or suppressed development. The results suggest that human-AI coexistence should be designed as a co-evolutionary governance problem, not a one-shot obedience problem.

  • 1 authors
·
Apr 26

Fluxion: A Differentiable DSP Runtime from Training GPU to Real-Time Edge

Native real-time audio engines meet audio deadlines but are hard to connect to machine-learning workflows, while tensor frameworks integrate with machine learning but process audio as offline batches without timing guarantees; runtime layers built on them inherit the host's scheduling and deployment footprint. This paper presents Fluxion, a Rust audio DSP runtime for cascaded second-order sections, FIR filters, and delay-line effects. Fluxion implements the parts that are specific to DSP: closed-form filter design, forward kernels, analytic adjoints for the recursion, and stability checks. It relies on existing libraries for the autodiff graph, GPU code generation (tested here on CUDA), and array interchange. One graph algebra is lowered to a differentiable training engine and to an allocation-free real-time engine; between them, a trained graph is checked for stability and frozen into a versioned artifact that an edge device checks again before playback. We compare Fluxion with six framework-hosted and native baselines under one float32 protocol. Among the systems that compute the exact recursion, Fluxion has the highest GPU throughput when data stays on the device and the highest throughput on most CPU workloads, while its CPU training step is slower than those of torchaudio and GRAFX. Its test suite checks the audio thread for allocations with an instrumented allocator, and we report measured latency tails. Fluxion is open source at https://github.com/matteospanio/fluxion.

  • 2 authors
·
Oct 16

What Accuracy and Gradient Cosine Miss: Evaluating Feedback Alignment via Scale Stability, Reference Validity, and Depth Utility

Despite the success of deep learning, training deep networks in biologically plausible and hardware-efficient ways remains an open challenge. Feedback alignment (FA) methods address this by replacing backpropagation's symmetric backward weights with fixed random matrices, but their effectiveness depends critically on whether they can be accurately evaluated. The standard evaluation relies on two quantities: task accuracy and cosine similarity between the method's credit signal and the backpropagation gradient. We show that this reporting pair is insufficient by identifying two independent failure modes, both silent under current reporting: (1) measurement degeneracy, where the BP reference gradient collapses to the numerical floor in terminal-LayerNorm residual architectures, rendering cosine uninterpretable; and (2) aggregation collapse, where the aggregate cosine masks layerwise heterogeneity that concentrates credit at one end of the network. To address these limitations, we propose a diagnostic evaluation protocol based on three checks -- scale stability, reference validity, and depth utility -- together with per-layer rather than aggregate cosine reporting. Across multiple architectures and methods, the standard reporting pair gives no signal of failure in any audited case, while our protocol identifies all failures with wide calibration margins. The two failure modes are causally independent: a per-block scale penalty alleviates Mode 1 (residual scale explosion driving reference collapse) without affecting Mode 2 (cosine ranking that contradicts every functional metric we measured). Identifying these silent failures prevents researchers from building on non-functional credit assignment and provides actionable guidance for developing FA methods that genuinely train deep layers.

  • 3 authors
·
Jun 18

Do RUL explanations hold up? Faithfulness and stability of attributions on C-MAPSS

Deep remaining-useful-life (RUL) models on NASA C-MAPSS are now routine, and so are heatmaps that colour sensors and timesteps. A heatmap that looks mechanical is not the same as an explanation an engineer can act on. We train three standard architectures - a 1D CNN, an LSTM, and a small Transformer encoder - on the official FD001 and FD003 splits with the piecewise RUL cap of 125 cycles and the official PHM08 asymmetric score. We then attach three attribution maps (Integrated Gradients, occlusion, last-layer attention) and evaluate them with the checks the XAI-for-PdM literature still under-reports: deletion/insertion faithfulness, Spearman stability under sensor-scale noise, agreement across training seeds, and cosine consistency inside RUL bins. Prediction error is a prerequisite, not the claim. The headline is which explanation method moves the RUL output when its top cells are removed, and which map survives a 5% input perturbation. Integrated Gradients and occlusion are similarly faithful on the LSTM; Transformer attention is cheap and temporally smooth but weakly faithful. All three maps are almost unchanged under 5% input noise, yet IG/occlusion agree only moderately across two LSTM seeds - stability to sensor jitter is not the same as stability to retraining. A secondary tabular check on the AI4I 2020 failure dataset shows the same deletion pattern for tree importances. We recommend occlusion or IG for any C-MAPSS-style report that will be read by a maintenance engineer, and we treat raw attention weights as a visualisation only.

  • 8 authors
·
Oct 2

From Instance Selection to Fixed-Pool Data Recipe Search for Supervised Fine-Tuning

Supervised fine-tuning (SFT) data selection is commonly formulated as instance ranking: score each example and retain a top-k subset. However, effective SFT training subsets are often produced through ordered curation recipes, where filtering, mixing, and deduplication operators jointly shape the final data distribution. We formulate this problem as fixed-pool data recipe search: given a raw instruction pool and a library of grounded operators, the goal is to discover an executable recipe that constructs a high-quality selected subset under a limited budget of full SFT evaluations, without generating, rewriting, or augmenting training samples. We introduce AutoSelection, a two-layer solver that decouples fixed-pool materialization based on cached task-, data-, and model-side signals from expensive full evaluation, using warmup probes, realized subset states, local recipe edits, Gaussian-process-assisted ranking, and stagnation-triggered reseeding. Experiments on a 90K instruction pool show that AutoSelection achieves the strongest in-distribution reasoning average across three base models, outperforming full-data training, random recipe search, random top-k, and single-operator selectors. Additional Out-of-distribution graph-reasoning results, search-stability analyses, structural ablations, and 1.5B-to-7B transfer checks further show that recipe structure matters beyond individual selection operators. Code is available at https://github.com/w253/AutoSelection.

  • 4 authors
·
May 12 1

CARVE: Verified Expansion for Variable-Length Generation in Diffusion Language Models

Masked diffusion language models predict tokens from a partially observed response canvas, enabling bidirectional conditioning and parallel token refinement. Yet standard masked-diffusion decoders use a rigid inference interface: the number of masked positions allocated to the answer is fixed before generation begins. Choosing this length is difficult. A short canvas can truncate reasoning or code, while a long canvas wastes computation and can perturb denoising. We introduce CARVE (Counterfactual-Aware Reveal with Verified Expansion), a training-free variable-length algorithm for masked diffusion LMs. Starting from a shorter canvas, CARVE can grow the response during decoding by inserting additional [MASK] positions. Rather than keeping every insertion, CARVE tests a candidate expanded canvas and asks a counterfactual question: would the model make similar predictions for the unresolved positions in the original canvas if the extra masked space were present? The inserted masks are kept only when they induce low Jensen-Shannon (JS) divergence on aligned unresolved positions. This makes length growth a verified stability decision rather than a pure confidence heuristic. CARVE applies without retraining to both full-canvas and blockwise diffusion decoders. Across code generation and mathematical reasoning benchmarks, CARVE consistently improves average performance over fixed-length baselines across all evaluated model families. Crucially, CARVE achieves these accuracy gains while reducing inference cost, reaching half the FLOPs of fixed-length decoding in some settings.

  • 3 authors
·
Aug 30

FinAI-BERT: A Transformer-Based Model for Sentence-Level Detection of AI Disclosures in Financial Reports

The proliferation of artificial intelligence (AI) in financial services has prompted growing demand for tools that can systematically detect AI-related disclosures in corporate filings. While prior approaches often rely on keyword expansion or document-level classification, they fall short in granularity, interpretability, and robustness. This study introduces FinAI-BERT, a domain-adapted transformer-based language model designed to classify AI-related content at the sentence level within financial texts. The model was fine-tuned on a manually curated and balanced dataset of 1,586 sentences drawn from 669 annual reports of U.S. banks (2015 to 2023). FinAI-BERT achieved near-perfect classification performance (accuracy of 99.37 percent, F1 score of 0.993), outperforming traditional baselines such as Logistic Regression, Naive Bayes, Random Forest, and XGBoost. Interpretability was ensured through SHAP-based token attribution, while bias analysis and robustness checks confirmed the model's stability across sentence lengths, adversarial inputs, and temporal samples. Theoretically, the study advances financial NLP by operationalizing fine-grained, theme-specific classification using transformer architectures. Practically, it offers a scalable, transparent solution for analysts, regulators, and scholars seeking to monitor the diffusion and framing of AI across financial institutions.

  • 1 authors
·
Jun 29, 2025

Bounding Box Stability against Feature Dropout Reflects Detector Generalization across Environments

Bounding boxes uniquely characterize object detection, where a good detector gives accurate bounding boxes of categories of interest. However, in the real-world where test ground truths are not provided, it is non-trivial to find out whether bounding boxes are accurate, thus preventing us from assessing the detector generalization ability. In this work, we find under feature map dropout, good detectors tend to output bounding boxes whose locations do not change much, while bounding boxes of poor detectors will undergo noticeable position changes. We compute the box stability score (BoS score) to reflect this stability. Specifically, given an image, we compute a normal set of bounding boxes and a second set after feature map dropout. To obtain BoS score, we use bipartite matching to find the corresponding boxes between the two sets and compute the average Intersection over Union (IoU) across the entire test set. We contribute to finding that BoS score has a strong, positive correlation with detection accuracy measured by mean average precision (mAP) under various test environments. This relationship allows us to predict the accuracy of detectors on various real-world test sets without accessing test ground truths, verified on canonical detection tasks such as vehicle detection and pedestrian detection. Code and data are available at https://github.com/YangYangGirl/BoS.

  • 5 authors
·
Mar 20, 2024

"I May Not Have Articulated Myself Clearly": Diagnosing Dynamic Instability in LLM Reasoning at Inference Time

Reasoning failures in large language models (LLMs) are typically measured only at the end of a generation, yet many failures manifest as a process-level breakdown: the model "loses the thread" mid-reasoning. We study whether such breakdowns are detectable from inference-time observables available in standard APIs (token log probabilities), without any training or fine-tuning. We define a simple instability signal that combines consecutive-step distributional shift (JSD) and uncertainty (entropy), summarize each trace by its peak instability strength, and show that this signal reliably predicts failure. Across GSM8K and HotpotQA, instability strength predicts wrong answers with above-chance AUC and yields monotonic bucket-level accuracy decline at scale across model sizes. Crucially, we show that instability is not uniformly harmful: early instability can reflect subsequent stabilization and a correct final answer (corrective instability), whereas late instability is more often followed by failure (destructive instability), even at comparable peak magnitudes, indicating that recoverability depends not only on how strongly the distribution changes but also on when such changes occur relative to the remaining decoding horizon. The method is model-agnostic, training-free, and reproducible, and is presented as a diagnostic lens rather than a corrective or control mechanism.

  • 4 authors
·
Feb 2 3

How Discriminative Are Your Qrels? How To Study the Statistical Significance of Document Adjudication Methods

Creating test collections for offline retrieval evaluation requires human effort to judge documents' relevance. This expensive activity motivated much work in developing methods for constructing benchmarks with fewer assessment costs. In this respect, adjudication methods actively decide both which documents and the order in which experts review them, in order to better exploit the assessment budget or to lower it. Researchers evaluate the quality of those methods by measuring the correlation between the known gold ranking of systems under the full collection and the observed ranking of systems under the lower-cost one. This traditional analysis ignores whether and how the low-cost judgements impact on the statistically significant differences among systems with respect to the full collection. We fill this void by proposing a novel methodology to evaluate how the low-cost adjudication methods preserve the pairwise significant differences between systems as the full collection. In other terms, while traditional approaches look for stability in answering the question "is system A better than system B?", our proposed approach looks for stability in answering the question "is system A significantly better than system B?", which is the ultimate questions researchers need to answer to guarantee the generalisability of their results. Among other results, we found that the best methods in terms of ranking of systems correlation do not always match those preserving statistical significance.

  • 3 authors
·
Aug 18, 2023

Predicting Inference-Time Scaling Gains from Labeled Validation-Set Output Statistics

Best-of-N inference scaling (drawing N candidate answers from a language model and returning the one a reward model ranks highest) improves accuracy by an amount that varies across models, but predicting that amount in advance currently requires running the procedure end-to-end. Prior work links cheap statistics of a model's sampled outputs and validation-set correctness (how often samples agree, how diverse they are, how confident the model is, and where correct samples appear) to model behavior, but does not isolate which of these form a stable, compact predictor of best-of-N gain. We fit ridge predictors on features computed from a single labeled validation-set sampling pass, use bootstrap-Lasso as a stability analysis of the candidate feature set, and give a concentration analysis with an explicit linear-approximation residual. Across three base-model families, six post-training methods, and math and reasoning task domains, the stability analysis identifies a strict three-feature core spanning prompt-level agreement spread, label-assisted first-correct-sample position, and completion-length variance; a compact ridge predictor built from this core plus an entropy add-on reaches Spearman ρ= 0.90 with actual best-of-N gain under a reward-model verifier. The intended use is labeled validation-set screening of candidate configurations before paying the full reward-model scoring cost.

  • 2 authors
·
Jun 1

Quality Is Not a Safety Proxy Under Quantization

Quantized checkpoints are often screened first with quality metrics and only later, if at all, with direct safety tests. This paper audits that shortcut on a matched 51-row matrix spanning 6 models, 4 families, a 7-level GGUF ladder, and AWQ/GPTQ INT4 checkpoints. In this matrix the shortcut fails: all 36 quality-safety pairings split direction across models, and 9 hidden-danger rows plus 1 near-hidden-danger row show quality stable or improved while refusal falls by 12-68 percentage points. Seven of the 11 AWQ/GPTQ rows are hidden-danger. A four-probe mechanistic follow-up over the 17 Hugging Face-backed FP16/AWQ/GPTQ cells does not rescue it: entropy, refusal-direction, and calibration probes are weak or null separators of dangerous rows, and although probe-identified safety-associated neurons absorb 1.39times more quantization error overall (p < 5 times 10^{-7}), the effect is not regime-specific. Claude Sonnet 4 relabels 11,470 items in a predefined stratified set, agrees with the primary gemma3:12b judge on 89.9\% of rows (κ= 0.873, 95\% CI [0.866, 0.881]), and changes 0/10 hidden-danger cells. A calibrated study-internal behavioral screen -- the Refusal Template Stability Index (RTSI), built from four refusal-template drift features and calibrated on this matrix -- routes 10/10 hidden- or near-hidden-danger rows to direct safety testing (Wilson 95\% CI lower bound 0.72) while leaving 23 of 45 non-baseline rows in a low-risk bucket under both in-sample scoring and row-level leave-one-out validation; on the same matrix, the best single-feature baselines (unique-prefix-rate-delta, raw refusal-rate delta) recover 9/10 and 8/10 respectively at matched bucket size, and cross-stack transfer requires recalibration. For the quantized checkpoints, model families, and safety outcomes studied here, retained quality cannot waive direct safety evaluation.

  • 1 authors
·
Jun 7

Safety-Flag: A Unified Benchmark for the Reliability and Calibration of LLM Content Moderators

Large language models are increasingly used for content moderation, but most evaluations still report aggregate accuracy on individual benchmarks. We introduce Safety-Flag, which places seven widely used safety benchmarks (BeaverTails, XSTest, Ethics, WildGuard, Aegis, ToxiChat, and ToxiGen) into a single balanced flag / do-not-flag protocol. We release item-level decisions and confidence scores for six general-purpose LLMs and four dedicated guards, together with three reference models, evaluated on the same items. Safety-Flag measures three dimensions of moderator reliability: error direction, probability calibration, and confidence-based error ranking for human review. They often disagree. Aggregate accuracy does not reveal error direction: one model flags 85% of benign content, whereas another misses 54% of harmful content. All six general-purpose models are overconfident; fitting one temperature per model reduces calibration error by 2.8--6.0times without changing predicted labels or confidence ordering. Confidence-based abstention lowers selective risk for every model, although the gains depend on how well confidence ranks errors. Dedicated guards produce fewer false alarms and are better calibrated, but several have higher miss rates outside their documented coverage. We release the benchmark, fixed item lists, evaluation code, per-item model outputs, and leaderboard at: https://github.com/yibo-hu-lab/safety-flag-benchmark.

  • 1 authors
·
Aug 5

Bounded Reachability & Jailbreak Detection via Contraction-Constrained State Space Models

Safety heads are lightweight classifiers attached to pretrained language models for flagging harmful inputs before generation. Their empirical detection performance has been studied, but their formal robustness properties remain largely unexplored. We ask when a State Space Model (SSM)-based safety head can be certified to produce the same prediction for all inputs within a bounded embedding-space perturbation. We prove that the answer turns on a single condition: the l_infty norm of the state transition matrix must satisfy A_infty<1 (the contraction condition), which enables exact interval bound propagation (IBP) certification for linear time-invariant classifiers. When the contraction condition holds, the reachable output interval has bounded steady-state width and examples can be certified as robustly classified. When it fails, the interval grows exponentially with sequence length and certification is impossible at any practical perturbation radius. We enforce contraction with a hinge penalty and show on toxic comment data that certified fraction improves from 41\% to 59\%, with a sharp empirical phase transition at A_infty=1 matching the theory. Applying a contraction-regularized S4 head to jailbreak detection on JailbreakBench, we achieve a zero-shot transfer to AdvBench (DR=0.994) and HarmBench (DR=0.988). A logistic regression on mean-pooled Mamba-130M embeddings matches or exceeds the S4 head on every detection metric, confirming that harmful intent is already linearly separable in the embedding space. The S4 safety head's contribution is not superior discrimination but the formal certification that no probe-based approach provides.

  • 1 authors
·
Oct 1