Papers

Machine learning models used in engineering are typically trained within limited operating ranges, yet reliable predictions are often required beyond these domains. Consequently, the primary challenge is extrapolation rather than interpolation. Rigorous validation is hindered by the scarcity of data outside the training range. To address this limitation, a novel extrapolation framework is integrated with established machine learning architectures to enable accurate and physically consistent predictions beyond the training domain. The framework is established by systematically evaluating two physics-guided architectures: a Bidirectional Long Short-Term Memory (BiLSTM) network and a Physics-Informed Neural Network (PINN). A classical one-dimensional transient diffusion problem is adopted as a benchmark because its exact analytical solution provides unlimited, reliable data across the spatio-temporal domain, enabling rigorous quantitative validation. The problem is particularly challenging because the solution evolves from an initial singularity through a strongly nonlinear transient regime before approaching a steady-state linear profile. When training data are confined to an intermediate portion of this evolution, backward extrapolation toward the singularity becomes especially demanding. To improve reliability, physics-guided coordinate transformations, boundary-aware learning strategies, and stability-enhancing temporal marching are incorporated. Extrapolation is evaluated using a train-predict-validate-extend strategy, in which validated predictions are recursively added to the training set to progressively extend the prediction horizon. The results demonstrate accurate and physically consistent predictions beyond the training domain, highlighting the framework's potential for engineering applications where data availability is limited.

The small-sample-size (SSS) problem remains a fundamental challenge in machine learning when labeled data are scarce due to cost, accessibility, or ethical constraints. While numerous approaches have been proposed, existing methods often struggle to maintain stable and discriminative representations under high-dimensional and limited-data conditions. Kernelized Linear Principal Component Discriminant Analysis (KLPCDA), a recently proposed modular framework, integrates variance preservation, inter-class separability, and intra-class compactness within a unified kernel space. Although its formulation has shown promising initial results, a systematic understanding of how its components interact across diverse SSS scenarios remains lacking. In this paper, we present a systematic cross-domain study of KLPCDA to characterize the interaction mechanisms among its core objectives. We analyze the behavior of its seven variants across multiple real-world SSS tasks, including hyperspectral image classification, mechanical fault diagnosis, medical diagnosis, and face recognition. Through extensive experiments and ablation studies, we investigate how different objective combinations influence performance under varying conditions such as noise, class imbalance, and high dimensionality. Our analysis reveals consistent patterns in the interaction of the three core objectives variance, between-class, and within-class terms, providing a unified and interpretable understanding of their roles in stabilizing representations and enhancing discrimination in SSS settings. Based on these findings, we further derive practical guidelines for selecting appropriate KLPCDA variants under different data characteristics. Experimental results demonstrate that KLPCDA achieves strong and robust performance across domains, while maintaining low computational complexity suitable for resource-constrained environments.

Meta-learning has emerged as an effective paradigm for transferring knowledge across sequential bandit tasks. While substantial progress has been made for stochastic bandits and non-contextual adversarial bandits, meta-learning for adversarial linear contextual bandits (ALCBs) with random action sets remains largely unexplored. To address this problem, we propose Meta-LinEXP3, an online-within-online algorithm that constructs a predictable task-level prior from completed tasks to guide the inner LinEXP3 learner. For known context distributions, we develop a policy-centered estimator that achieves an intrinsic-dimension $\mathcal{O}(\sqrt{n})$ per-task regret bound. For unknown distributions, we introduce a past-only regularized moment estimator with an $\mathcal{O}(n^{2/3})$ leading regret term and explicit finite-sample error. We further establish a direct connection between prior accuracy and transfer regret, showing that increasingly accurate priors yield sublinear transfer-dependent regret across tasks. Experiments demonstrate the effectiveness of Meta-LinEXP3, including its application to structured hyperspectral tensor sampling.

Preference alignment for flow and diffusion models now spans online reinforcement learning and offline preference optimization, but the relation between these methods remains unclear. In particular, existing forward-process alignment methods require fresh samples from the current model, while offline methods based on fixed preference pairs rely primarily on positive-only fine-tuning or DPO-style likelihood-ratio surrogates. We organize these approaches through a divergence-based framework and introduce FlowCPO, an offline forward-KL objective that uses both preferred and dispreferred samples without online rollouts. For linear interpolation, we show under explicit regularity conditions that the forward-KL objective is bounded by a contrastive flow matching loss, yielding a tractable surrogate on fixed data. We further show that this loss is nonnegative, whereas the signed regression loss of simplified FlowDPO can be unbounded below. In the in-domain setting, FlowCPO achieves higher mean GenEval and OCR scores than the evaluated baselines, reaching 0.84 and 0.87 versus 0.81 and 0.74 for FlowDPO at CFG 3.0. In the out-of-domain setting, the results are mixed, with the best GenEval result but lower reward scores than RFT on several metrics.

Federated clients that perform several local optimization steps can return parameter displacements with widely different magnitudes. The quadratic regularization of FedProx grows linearly with displacement and therefore offers limited control over the contrast between ordinary and unusually large client movements. We here introduce HiFedProx, which replaces the quadratic penalty with a scale-matched power-type regularizer indexed by $p\geq2$. All powers have the same regularization-gradient magnitude at a reference displacement $R$, while every $p>2$ gives a weaker response below $R$ and a stronger response above it. An exact affine reference calculation shows that increasing $p$ compresses relative displacement disparities, although very large powers approach fixed-radius behavior and increase local curvature. HiFedProx combines this geometry with finite-budget stochastic client optimization and same-minibatch Armijo backtracking. In paired five-seed experiments on a frozen 60-writer FEMNIST subset, a common-parameter study over $p\in\{2,3,4,5,6,7,8\}$ shows similar clean-training performance but substantial gains under composite stress. The lowest moderate- and severe-stress losses occur at $p=7$ and $p=6$, improving over $p=2$ by $11.44\%$ and $23.16\%$, respectively. Although displacement-tail ratios continue to decrease through $p=8$, predictive performance peaks in an intermediate range and Armijo trial cost increases with $p$. These results indicate that the exponent should be calibrated rather than maximized. In our experiments, $p=5$–$7$ provides the most useful range.

Language models can fluently describe how they would behave: whether they would cave to pushback, misuse a tool, or lie under pressure. Is that description actually about the model speaking? We turn self-knowledge into a prediction test. Across nine behavioral evaluations, we measure how a model behaves under different conditions, ask it to predict those rates, and compare its predictions with controls that remove the self from the question. We find that: (i) Direct self-report is weak (r = +0.04), and even showing the model the exact items only raises prediction to +0.24. Crucially, the same item-informed question about "capable AI agents in general" does just as well (+0.28), while other models' answers about themselves predict the target model at least as well as its own. (ii) Frontier scale does not detectably change this pattern: any gains in prediction are not self-specific, and are consistent with a better theory of how AI assistants behave rather than better self-knowledge. (iii) First-person framing does have one robust effect: it shifts reports in the flattering direction, understating harmful behavior relative to the same question about a generic agent. (iv) Finetuning on a model's own behavioral record can teach narrow self-predictions, but it also changes the behavior being predicted and the gains do not transfer broadly. The practical implication is simple: asking a model what it would do mostly reveals a theory of AI assistants in general, plus a favorable bias, rather than privileged knowledge of that model.

Proteolysis-targeting chimeras (PROTACs) have emerged as a transformative therapeutic strategy that selectively degrades historically ”undruggable” targets via the ubiquitin-proteasome system. Despite growing efforts to develop computational predictors of PROTAC degradation activity, existing supervised approaches remain severely challenged by data scarcity and imbalance across E3 ligases, limiting their ability to generalize beyond well-studied ligase contexts. In practice, labeled data are heavily concentrated on a few ligases (e.g., CRBN and VHL), while the majority of E3 ligases remain underexplored yet are critical for expanding the design space of targeted degraders. Developing methods that enable robust cross-ligase generalization with minimal labeled data is therefore essential for improving the practical utility of computational PROTAC discovery. We reformulate PROTAC degradation activity prediction across E3 ligases as a few-shot meta-learning problem and present ProMeta, a prototype-based graph neural network trained through episodic meta-learning on source-E3 tasks and evaluated on held-out target-E3 tasks through support-conditioned inference. ProMeta performs inference without updating the encoder by dynamically estimating class prototypes from minimal target-ligase support samples. On the CRBN-to-VHL benchmark, ProMeta achieves AUROC values of 0.796 under K=2, Q=3 and 0.883 under K=2, Q=5, improving by 19.9% and 6.8%, respectively, over the corresponding supervised GNN baseline. Reverse VHL-to-CRBN transfer under the same protocol yielded AUROC values of 0.702 (K=2, Q=3) and 0.821 (K=2, Q=5), confirming bidirectional applicability while revealing direction and data-regime dependence. Together, these results support ProMeta as a practical framework for cross-ligase few-shot prediction under the evaluated support/query protocols.

Depth pruning reduces large language model (LLM) inference cost by removing complete Transformer blocks. Activation-based methods collect hidden states through forward passes on calibration data, while existing forward-free methods score each Transformer block separately without measuring similarity between blocks. We propose Weight-Redundancy Pruning (WRP), a forward-free depth-pruning method that estimates inter-layer redundancy from checkpoint weights to select blocks without calibration data or model forward passes. WRP compares attention output and MLP down-projection weights across layers and combines their pairwise similarities with relative projection-scale information. The resulting all-pairs similarity matrix guides layer grouping and block selection. Across multiple pruning settings, model families, and downstream tasks, WRP consistently outperforms existing forward-free magnitude pruning and approaches the performance of activation-based methods.

Balanced k-shot sampling draws exactly k labeled examples per class. We show that it induces an exact, provable degeneracy in a family of small-sample discriminant estimators. Under balanced sampling, the within-class scatter operator of Kernelized Linear Principal Component Discriminant Analysis (KLPCDA) is not merely rank-deficient but exactly a scaled orthogonal projector. We derive the consequences in closed form: two of KLPCDA's seven variants have every signal eigenvalue exactly equal, so their eigenvector selection criterion is provably indifferent rather than ill-conditioned, and a third has a provably void objective. This follows from the estimators' construction, not any dataset; we confirm it on frozen sentence embeddings and, separately, on residual-stream activations from a decoder-only generative model. An in-formula tie-break repairs the two repairable variants, with recovery gated by class count: the residual subspace constraint costs 5x more on few-class than many-class datasets (p=0.000001). We then evaluate the repaired framework on few-shot text classification on frozen LLM embeddings (n much smaller than d, up to 4096), across four datasets, three embedding sizes, and three trained baselines (SetFit, LoRA, in-context learning). A properly cross-validated logistic-regression probe still beats every KLPCDA variant on three of four datasets, at every embedding size; guidance carried from pixel, vibration-signal, and gene-expression data does not directly generalize to this feature space. Three independent geometric separability metrics fail to explain why one high-dimensional decoder-based embedding model underperforms smaller bidirectional encoders, ruling out anisotropy; the gap is substantially an estimation-efficiency effect, not a permanent ceiling, closing by more than 80% when the support set grows from k<=10 to k=30-50 (p=0.00195, both many-class datasets).

Although probabilistic statements are ubiquitous, foundational disagreements persist about their understanding, as exemplified by debates between Bayesians and frequentists; moreover, it is unclear when and why acting on them actually leads to desirable outcomes. Here, we argue that every probability is the output of a prediction method, that is, it depends on both a particular way of constructing abstractions and a way of transforming them into predictions. Through this, we provide a unifying perspective on supposedly different kinds of probabilities and show that even supposedly objective ones are model-dependent. We demonstrate that when a finite calibration criterion is met, one can anticipate the distribution of utilities for a given policy and inform successful decision-making on finite sets of events. Based on the notion of prediction methods, inductive arguments, and the probability calculus, we explain the feasibility of the calibration criterion in many settings. Overall, we develop a coherent perspective on probabilities and their use, connecting key intuitions behind other interpretations along the way.

Low-bit quantization can achieve high recall on some vector representations and fail sharply on others, while average distortion and global rank correlation do not explain the difference. We study quantized vector search at the level of the comparisons consumed by ranking and graph-pruning algorithms. Our first result is a distribution-free decomposition: the probability that a comparison flips is bounded by the probability mass of exact margins near zero plus the tail probability of the calibrated residual. We then account for dependence between residuals that share a query or graph node, and derive covariance-aware second-moment identities and tail bounds under a joint MGF proxy. For a frozen candidate permutation, we prove a deterministic coupling theorem for Vamana neighbour selection: the approximate replay returns the exact neighbour list exactly when all candidate-level pruning actions agree on the frozen exact states. We connect these results to representation geometry through an exact Gaussian oracle, establish a strict correlation gain from a deterministic magnitude bit in an aligned bilinear model, and give a rare-contamination construction showing why marginal Gaussian diagnostics do not imply the required residual tails. When analytical assumptions are unavailable, a held-out block certificate bounds the selective failure risk of a frozen quantized rule. Across learned, classical, and synthetic embeddings, standardized exact margins predict held-out ranking and pruning flip rates substantially better than global rank correlation. The framework applies to coordinate binary codes, RaBitQ, Lucene BBQ, and product quantizers through a common decision interface.

Accurate long-term trajectory prediction for maritime vessels is essential for safety and logistical efficiency. While deep learning models, particularly Transformers, have shown promise in processing Automatic Identification System (AIS) data, they often struggle with the quadratic computational complexity of self-attention and the loss of accuracy over extended forecasting horizons. This study proposes TempTPI, a novel prediction framework that integrates an Informer-based encoder with a multi-channel temporal encoding mechanism. The Informer architecture leverages a ProbSparse self-attention mechanism to reduce computational overhead and focus on the most significant dependencies, while the temporal encoder utilizes Fourier-like frequency expansions to capture cyclic patterns (hourly, daily, and seasonal) in vessel behavior. We evaluate our model against the state-of-the-art TPTrans architecture using AIS data from Danish waters. Experimental results demonstrate that TempTPI consistently outperforms existing methods across prediction windows of 1 to 5 hours. Notably, at a 5-hour horizon, the proposed model achieves a 55% improvement in Mean Squared Error (MSE), offering a robust solution for long-range maritime situational awareness.

Medical claims data comprise the financial details, including the expenses and billing information, as well as the clinical information, such as the diagnoses and treatments, of patients visiting medical facilities. Recently, it has been acknowledged that large databases can be constructed from medical claims data for medical research purposes. However, the clinical information within these datasets is often medically unstructured, limiting its application in comprehensive analyses. This study enhances predictive model performance for major adverse cardiovascular events (MACE), a leading cause of death worldwide. Models that predict MACE are crucial to clinical practice guidelines. We utilize a cross-attention mechanism to develop a method that effectively weights the relationships between diagnoses and treatments. Effectively repre- senting the clinical information contained in medical claims data, this approach generates more representative features for predicting MACE. The ROC-AUC score of our proposed cross-attention-based model was 0.7720, higher than other benchmark models including the conventional atherosclerotic cardiovascular disease model, the light gradient boosting machine, and a self-attention-based model. These results indicate that integrating the clinical structure of medical claims data using a cross-attention mechanism significantly enhances the performance of predictive models.

In online inverse linear optimization, the learner predicts a weight at each round, observes the optimal action of the agent, and updates its prediction. In the general setting, the gap of $\log T$ between the regret upper bound $O(d \log T)$ and the lower bound $\Omega(d)$ is unresolved (here $T$ is the total number of rounds and $d$ is the dimension). When the action set is M-convex, the regret is known to be bounded by $O(d \log d)$, but the method attaining it computes a center of gravity at every round. This paper therefore proposes Small-Gradient Skipping (SGS), a mechanism that skips the update at rounds without a mistake, and applies it to online gradient descent, the online Newton step, and MetaGrad. When the forward problem is an integer linear program with a unique optimal solution, the number of mistakes is bounded, for all three, by a quantity independent of $T$; and for the online Newton step and for MetaGrad with SGS, the dimension dependence of the regret becomes $O(d^2)$, that is, the factor $\log T$ is removed. Moreover, when the action set is M-convex, the regret is bounded efficiently without computing a center of gravity.

Crystal structure prediction (CSP) is fundamental to computational materials discovery. Generative models including CDVAE, DiffCSP, FlowMM, and CrystalFlow learn stable-crystal distributions directly, but diffusion and flow-matching inference requires tens to thousands of sequential network evaluations per candidate. We introduce uFlowCSP, a MeanFlow-based CSP model that learns the average, rather than instantaneous, probability-flow velocity. It generates a complete structure in one to five evaluations, delivering 5x-58x faster inference with equal or better performance. A chemistry- and symmetry-aware Transformer uses canonical atom ordering, global composition, and per-token chemistry embeddings. A coarse crystal-system token is used only during training; it provides additive gains, particularly improving space-group agreement despite being absent at inference, which remains formula-only. On MP-20 with 20 candidates per target, one step matches CrystalFlow (78.38% vs. 78.34%) with 100x fewer evaluations and about 10x lower wall-clock time. Five steps reach 83.64%, exceeding CrystalFlow (78.34% at 2,000 evaluations) and DiffCSP (77.93% at about 20,000), while using 20x fewer evaluations. uFlowCSP generates 10,000 structures in 0.39-1.31 minutes, versus 6.5 for CrystalFlow and 76.1 for DiffCSP. Under CSPBench's energy-ranked top-five structure-and-space-group criterion, five-step uFlowCSP reaches 72%/72%/65% structure, space-group, and consensus match rates. CrystalFlow reaches 78%/73%/68% at 100 steps but falls to 49%/32%/31% at five. Thus, uFlowCSP improves accuracy per network evaluation, not merely peak accuracy.

The DIRECT algorithm is a deterministic global optimization method known for its versatility and balanced exploration-exploitation strategy. However, DIRECT-type algorithms are primarily effective for low-dimensional problems and often exhibit slow convergence as dimensionality increases, limiting their applicability to more complex optimization tasks. To address this limitation, this paper introduces X-DTC-GL, a novel DIRECT-type algorithm that incorporates dynamic partitioning and hybridization techniques. The dynamic partitioning approach adaptively refines the search space based on local one-dimensional surrogate models, enabling rapid subdivision of promising hyper-rectangles. The hybridization strategy selectively employs a hill-climbing method to exploit promising regions identified by the surrogate models. Extensive experiments on four diverse benchmark suites demonstrate that X-DTC-GL significantly outperforms existing DIRECT-type baselines, achieving improvements of ~12% in solvability and ~27% in solution quality. Performance-profile analyses indicate the fastest convergence on up to ~40% of instances, the best runtime performance on ~17% of problems, and competitive overall execution times. By improving performance within the partition-based framework, these advances strengthen the algorithm's competitiveness in state-of-the-art black-box optimization.

Fine-tuning large language models (LLMs) on domain-specific data is essential for downstream adaptation. In many deployments, a participant cannot hold the complete model locally. This happens because the model owner keeps the full model proprietary, or because the participant lacks sufficient compute resources. Split Learning (SL) addresses this by partitioning the model between the participant and a server so that only a small portion runs locally. When the underlying data is additionally distributed across multiple institutions with privacy requirements, Federated Learning (FL) further enables collaborative training across participants by sharing only model updates instead of raw data. In this combined setting, each client transmits intermediate activations to the server, and for LLM fine-tuning, this exchange poses an inherent privacy paradox. The autoregressive nature of LLMs causes the transmitted activations to leak the input, and existing perturbation-based defenses are fundamentally ineffective in this setting. We address this leakage through a learned obfuscate-and-recover scheme that protects participants' private datasets while still allowing an independently deployable model to be trained on the server side. Experiments demonstrate that our approach achieves strong privacy protection with modest utility loss and system overhead, making split-based federated LLM fine-tuning practically viable.

Directional ablation removes an aligned language model's ability to refuse by projecting a single "refusal direction" out of the weights that write the residual stream. It needs no gradient-based training and no optimization, only a few hundred contrastive prompts, which makes it the canonical white-box attack on open-weight alignment. However, it has been established only on dense models up to roughly 70B parameters. We study whether it survives the shift to frontier mixture-of-experts (MoE) models whose residual streams are no longer a single tensor and whose weights ship quantized. We apply it to GLM-5.3-Flash (320B parameters, 288 routed experts, a four-wide hyper-connection residual, block-FP8). The attack survives the architecture, but what it reaches is no longer where a reader of the original recipe would look for it. Editing the attention, dense and routed-expert writers on their own removes 0.039, 0.016 and 0.148 of refusal respectively; editing all three together removes 0.776. As a result, 74% of the effect exists only under the joint intervention. The part the conventional recipe reaches by module-name matching accounts for 0.066 of that 0.776, which is why it fails silently on an MoE. The effect does not follow from removing just any direction: ablating a random direction orthogonal to it leaves refusal unchanged. A category-concentrated residue survives every edit we tried: subspaces fitted on violence, sexual content and hate leave measurable refusal at every rank from 1 to 12. We report the method, the 41-89 percentage-point reductions it achieves across seven harmful benchmarks with no detected change in capability, and the boundary where it stops.

Choosing when to retrain a deployed classifier requires assessing subgroup error rates across the sequence of models used, including periods between updates. We compare complete scheduled, loss-triggered, and subgroup-gap-triggered policies with retaining the initial model on the same observations and delayed labels. For true-positive and false-positive rates separately, the outcome is the paired difference in absolute subgroup gaps summed over deployment windows. Population evaluation in simulation, action records, and alternative schedules assess how measurement and retraining behaviour affect these comparisons. In a follow-up sample of 400 new trajectories per condition across two simulated drift regimes, all three policies had lower mean cumulative disparity, equivalent to reductions of 0.04 to 0.88 percentage points in the average gap per window. Evaluating the unchanged models against the known generating distributions preserved all mean directions, but finite-window and population comparisons agreed on whether updating increased, reduced or left cumulative disparity unchanged in 69 to 92 percent of trajectories. Under subgroup-specific drift, smaller true-positive-rate gaps accompanied lower sensitivity in both groups. In an exploratory American Community Survey replay, person weighting reversed all three race false-positive-rate mean comparisons without changing predictions or actions; all three weighted intervals included zero. Policy comparisons require group-specific rates, action distributions, and an explicit evaluation population alongside mean disparity. These analyses are non-confirmatory. Shared replay requires policy-independent observations and complete labels after the specified delay.

Electroencephalography (EEG)-based motor-imagery brain-computer interfaces (MI-BCIs) vary across subjects and sessions, complicating personalization from limited calibration data. Federated learning can exploit shared representations without centralizing raw EEG, but existing federated MI studies largely assume regular synchronization. We introduce NEXUS-MI, a gateway-coordinated federated personalization framework that treats synchronization as a coupled learning-and-communication control problem. Raw EEG and classifier heads remain local, while an edge coordinator maintains the shared backbone. We evaluate NEXUS-MI through offline replay using BCI Competition IV Dataset 2a (BCICIV-2a; 9 subjects, 4 classes) and OpenBMI (54 subjects, 2 classes). Session 1 supports backbone learning, and Session 2 provides limited-calibration personalization and held-out testing. An ideal-link reference and six heterogeneous-link policies characterize gateway participation, buffering, stale-update admission, and backbone-download control. The principal comparison holds delayed-update handling fixed while contrasting non-adaptive and communication-aware synchronization. Paired subject-level comparisons use Holm adjustment, and robustness across five matched realizations is assessed by hierarchical bootstrap. Communication-aware coordination reduced server-to-client backbone traffic by approximately 42% on both datasets, while cohort-level accuracy differences were small and realization-dependent. Cohort averages also concealed subject-level vulnerability, with losses reaching approximately 12 percentage points on BCICIV-2a relative to the ideal-link reference. These findings establish gateway synchronization as an explicit design variable in federated MI personalization and motivate joint evaluation of personalized accuracy, communication cost, update freshness, and subject-level reliability.

Asynchronous reinforcement learning has become the standard way to scale training for large language models (LLM), but the resulting policy lag biases the critic toward the stale behavior policy. Existing work on asynchronous LLM training corrects the actor and leaves this bias unaddressed, while the off-policy value correction of classical RL does not carry over to long-horizon agentic tasks, since a short correction horizon leaves the regression target free of the reward and a long one lets the product of importance ratios drift exponentially with the trajectory length. We propose BRACE, an anchored Bellman-residual correction for stale value models. BRACE bounds the correction horizon to a prefix of policy tokens and anchors a constant-weight Monte-Carlo tail beyond it, which separates policy correction from reward propagation. BRACE delivers a $9.8\%$ relative improvement in mean@1 on BrowseComp-Plus over the strongest baseline, runs $2.46\times$ faster per step than synchronous training, and remains stable $50$ updates off-policy.

Frontier gains in language-model reasoning come from reinforcement learning on reasoning traces and are concentrated in domains with a cheap, sound verifier. We argue the field's binding constraint is the verification gap: no scalable, incorruptible reward for reasoning outside formal domains. We make four contributions. (1) Theory: in a joint-Gaussian model of best-of-N selection, verifier-gold correlation rho is the exact exchange rate between test-time compute and capability, and an unsound verifier pays a polynomial penalty N^(1/rho^2); a margin-free copula form predicts realized soundness of real LLM judges to 4% median error. (2) Demonstration: in program-synthesis testbeds with executable ground truth, including a pre-registered scaled replication, unsound verifiers lose Soundness-under-Pressure as optimization grows (0.94 to 0.32 at N=4096) while a sound verifier improves monotonically; reality-anchored settlement beats a frozen verifier under i.i.d. and adversarial pressure, driving the hacking gap from ~0.27 to ~0; soundness scales log-linearly with settled labels, with on-policy settlement ~10x more label-efficient than random labeling. With real LLM judges and unit-test execution as gold, a weak judge loses soundness under best-of-N (p<0.001), a stronger judge is more robust, and selection alone manufactures +0.53 hacking gaps from honest samples. Under real GRPO training, a frozen reward model traces the full overoptimization curve (executed reward collapses 90%) while the same model refit on a 10% settlement stream preserves 6x the executed reward. (3) Paradigm: proof-carrying cognition, where reasoning steps are typed probabilistic claims priced by a self-built world model trained only on held-out reality and settled by proper scoring rules. (4) Benchmark: we specify Soundness-under-Pressure as the headline metric for a reality-settled reasoning benchmark.

In Retrieval-Augmented Generation (RAG) systems, a large number of retrieved chunks are concatenated to form the input context so that users can receive high-quality responses based on external knowledge. As a result, the input context length increases substantially, leading to a larger prefill workload and, in turn, a longer time to first token (TTFT). While previous works that reuse precomputed key-value (KV) caches effectively reduce TTFT for long-context inputs, it remains unclear whether response quality is preserved when the input context becomes very long. In this paper, we propose a combined approach that (i) fine-tunes the model while taking KV cache concatenation into account and (ii) selectively recomputes a subset of the KV caches. By applying both techniques, we demonstrate improved accuracy for long-context inputs. Experiments on the RULER benchmark show that, for a 124k-token input, our method improves the RULER score by 9.7 point over the baseline that recomputes KV caches only. Moreover, TTFT is reduced by 80% compared with full attention.

Methane plume detection from satellite imagery is constrained by incomplete observations: public satellites provide complementary spatial, spectral, and atmospheric evidence, but real plume cases rarely contain fully paired multi-sensor measurements because of revisit schedules, cloud coverage, acquisition quality, and the transient nature of emissions. Most learning-based detectors rely on single-sensor inputs, especially Sentinel-2 (S2), leaving many reported plume cases unusable. We construct MethaneUnion, a temporal multi-sensor dataset built from Carbon Mapper plume reports and matched S2, Landsat 8/9 (L8/9), EMIT, and Sentinel-5P (S5P) observations. Built on MethaneUnion, MethaneFuse learns from heterogeneous satellite observations under partial sensor availability without requiring complete four-sensor measurements. MethaneUnion expands usable coverage from 3,211 valid S2-matched plume cases to 8,981 reported plume cases with multi-sensor observations. At the representative 480 m setting, MethaneFuse achieves 84.87 F1 and 93.62 AUROC, improving over the strongest baseline by 5.65 F1 and 8.30 AUROC points while reducing false positives by 8.19 points. Sensor-availability experiments show that MethaneFuse improves detection when S2 is available and transfers plume knowledge to L8/9, EMIT, and S5P when S2 is unavailable. These results demonstrate the value of learning from incomplete heterogeneous sensor observations for practical methane plume detection.

Source-level analysis of interictal epileptiform discharges (IEDs) is relevant to presurgical evaluation and treatment planning because it helps characterize where epileptiform activity is likely to arise. Beyond detecting whether an IED is present, this setting requires assigning IED-positive activity to clinically meaningful brain-region categories. This setting is challenging because source-region evidence in short electroencephalography (EEG) windows can be subtle, partial, and affected by subject variability, class imbalance, and imperfect multimodal context. We present EEGBind, an EEG-centric multimodal binding framework for five-class source-level IED classification. EEGBind treats EEG as the primary modality and binds synchronized video-context features around an EEG-centric representation. Instead of relying on early or overly strong multimodal fusion, which may perturb the source-sensitive EEG representation, EEGBind uses video context as auxiliary evidence for robust classification. A view-consistent repair stage is further used to improve hidden-set robustness while preserving the learned source-class boundary. On the NeuroMM 2026 Grand Challenge Track 3 NMM-Source-IED benchmark, EEGBind achieves 0.8395 on weighted-F1 and outperforms strong competitors. These results support EEG-centric multimodal binding as a practical strategy for source-level IED classification. The open-source code is available at https://github.com/HKUSTGZ-ML4Health-Lab/NeuroMM2026_IED_Detection.

Low-bit attention accelerates Transformer inference by moving the $QK^\top$ and $PV$ matrix multiplications to FP8 or FP4 matrix engines. However, the softmax path often evaluates shifted-score exponentials in higher precision, forms a temporary probability block, and quantizes it before low-bit $PV$ multiplication. This exp-then-quantize path creates a mismatch between a high-precision probability producer and a low-bit matrix consumer. We propose EFQ-Softmax (Exp-Free Quantization for Softmax), a low-bit probability-generation method that directly maps shifted attention scores to block-scaled E2M1 operands. For each microscaling block, EFQ-Softmax selects an exponent-only scale from the local maximum, maps the shifted scores to a normalized residual domain, and generates nonnegative E2M1 probability codes using a single affine rule. The resulting operand is used consistently in both the $\widetilde{P}V$ numerator update and the $\widetilde{P}\mathbf{1}$ denominator update. The FlashAttention-style row-maximum update, historical rescaling, high-precision accumulation, and final normalization remain unchanged. We evaluate end-to-end quality on Qwen3-8B, Qwen3-VL-8B-Instruct, and WAN2.2-TI2V-5B, and separately measure kernel-level performance on the A5 vector unit. EFQ-Softmax improves the Qwen3-8B seven-task mean from 0.6749 with MXFP4 to 0.6773 and the Qwen3-VL nine-task mean from 0.7826 to 0.8000. On WAN2.2, it maintains temporal consistency and visual quality comparable to the FP16 and MXFP4 baselines under VBench. On the A5 vector unit, EFQ-Softmax reduces the vector-stage latency of the fused probability-generation kernel by 40.33% on average across sequence lengths from 16K to 128K. These results show that direct low-bit probability generation can replace the conventional exp-then-quantize path while preserving end-to-end model quality.

6G wireless technology is poised to adopt higher and wider frequency bands, leveraging highly directional beamforming. However, the vast bandwidths amplify the impact of beam squinting. Traditional solutions, such as adding a true-time-delay filter to each antenna, are cost-prohibitive due to the required hardware scale. This paper proposes a signal processing alternative using Graph Neural Networks (GNNs) to optimize hybrid beamforming in multicarrier wideband systems. Using a bipartite graph to represent a shared analog beamformer among multiple subcarriers, we develop three GNN structures with distinct digital beamformer representations (i) at the subcarrier nodes, (ii) at the edges, or (iii) integrating traditional singular-value decomposition solutions. By designing an efficient message-passing mechanism, these structures offer insights into the impact of different GNN designs on communication system performance and computational complexity. Extensive analysis and ablation studies show that our proposed GNN structures outperform traditional optimization methods and existing ML-based solutions. Furthermore, the proposed GNNs exhibit strong resiliency to beam squinting and better robustness against imperfect CSI than even fully digital beamforming and all existing hybrid designs. These GNNs can also be extended to multi-user scenarios and demonstrate excellent generalization capabilities, allowing trained models to adapt to diverse multicarrier and multi-user settings without retraining.

Graph Neural Networks (GNNs) have achieved remarkable success across diverse applications, yet they remain highly vulnerable to adversarial attacks that maliciously perturb graph structure. Existing defenses often lack rigorous theoretical grounding, rely on attack-specific heuristics, or require costly retraining procedures such as adversarial training. To address these limitations, we propose Kernel-Complexity Edge Sanitization (KCES), a training-free and model-agnostic framework for defending against structural attacks. KCES is built upon Graph Kernel Complexity (GKC), a principled metric derived from the graph Gram matrix that appears in a generalization upper bound on the GNN test error. From this bound, we define an edge-specific KC score that quantifies each edge's structural influence via its induced change in GKC. KCES then identifies and prunes high-KC edges, which are empirically enriched with adversarial perturbations under structural attacks, to mitigate their harmful impact. Computationally efficient and scalable, KCES operates as a lightweight preprocessing step without retraining and can be seamlessly integrated with existing defenses. Extensive experiments demonstrate that KCES consistently outperforms representative robust baselines across diverse attack settings and scales effectively to large graphs. Supported by theoretical analysis and extensive empirical validation, KCES provides a principled and efficient framework for securing GNNs. Our code is available at https://github.com/karpning/KCScore.

Real-time hold control is a high-leverage mechanism in large-scale ride-hailing systems: by selectively deferring driver-order pairs, the platform can wait for better matching opportunities and improve end-to-end passenger-driver experience. Existing production systems such as EXHOLD learn bandit-based hold policies from handcrafted combinations of trip completion, cancellations, waiting time, and driver effort. However, designing such rewards becomes increasingly difficult as marketplace preferences are heterogeneous and observed passenger-driver behavior can be sparse, noisy, and affected by dynamic supply-demand conditions. We present ALIGN-HOLD, a production-scale experience alignment framework that learns hold policy from implicit marketplace preferences. ALIGN-HOLD constructs complementary preference pairs from order trajectories, driver trajectories, and contemporaneous local matching graphs, and trains an experience Reward Model (RM) using balanced multi-view sampling and model-adaptive hard preference sampling. During simulator-based policy learning, the frozen RM provides a dense, context-dependent reward and supports label-free filtering of low-identifiability interactions whose behavioral feedback is difficult to attribute to matching quality. We deploy ALIGN-HOLD on DiDi's ride-hailing platform and evaluate it in a 28-day randomized A/B experiment, covering approximately 100,000 passenger requests per day. Compared with the deployed production policy, ALIGN-HOLD achieves statistically significant improvements in trip completion rate and driver income, while significantly reducing passenger cancellations before and after driver acceptance. Complementary ablations, RM diagnostics, and behavioral analyses validate the contributions of the proposed components. ALIGN-HOLD has been fully ramped up and is currently serving DiDi's Brazil marketplace.

Many learning systems return a single point estimate even when admissible outputs form disconnected or non-convex sets. Under squared loss, an ambiguous conditional distribution can therefore have a Bayes-optimal conditional mean that is invalid. We formalize this failure as conditional mean collapse and introduce Settling, an equilibrium-based inference operator that separates proposal generation, consistency evaluation, and test-time equilibrium selection. The operator treats a mean-seeking proposal as an initialization and refines it toward a locally stable configuration; conditional on initialization, refinement is deterministic. We establish exact-gradient descent, local convergence, and an inexact-gradient robustness condition relevant to learned consistency critics. In a reproducible 100-context geometric diagnostic, the mean-seeking baseline succeeds in 0/100 contexts, stochastic denoising in 100/100, and Settling in 99/100 while producing substantially lower trajectory roughness. A 1,200-run sensitivity study yields 97-100% success across obstacle-jitter ranges up to 0.20 and 94-100% across one-time initialization perturbations from 0.05 to 0.50. Cross-domain panels remain mechanism illustrations; learned high-dimensional validation remains an open empirical test.