Papers

As global political tensions rise and the anticipation of additional tariffs from the United States on international trade increases, the issues of economic independence and supply chain resilience become more prominent. The importance of supply chain resilience has been further underscored by disruptions caused by the COVID-19 pandemic and the ongoing war in Ukraine. In light of these challenges, ranging from geopolitical instability to product supply uncertainties, governments are increasingly focused on adopting new trade policies. This study explores the impact of several of these policies on the global electric vehicle (EV) supply chain network, with a particular focus on their effects on country clusters and the broader structure of international trade. Specifically, we analyse three key policies: Country Plus One, Friendshoring, and Reshoring. Our findings show that Friendshoring, contrary to expectations, leads to greater globalisation by increasing the number of supply links across friendly countries, potentially raising transaction costs. The Country Plus One policy similarly enhances network density through redundant links, while the Reshoring policy creates challenges in the EV sector due to the high number of irreplaceable products. Additionally, the effects of these policies vary across industries; for instance, mining goods being less affected in Country Plus One than the Friendshoring policy.

Mixture-of-Experts (MoE) architectures offer a scalable path for Graph Neural Networks (GNNs) in node classification tasks but typically rely on static and rigid routing strategies that enforce a uniform expert budget or coarse-grained expert toggles on all nodes. This limitation overlooks the varying discriminative difficulty of nodes and leads to under-fitting for hard nodes and redundant computation for easy ones. To resolve this issue, we propose D2MoE, a novel framework that shifts the focus from static expert selection to node-wise expert resource allocation. By using predictive entropy as a real-time proxy for difficulty, D2MoE employs a difficulty-driven top-p routing mechanism to adaptively concentrate expert resources on hard nodes while reducing overhead for easy ones, achieving continuous and fine-grained expert budget scaling for node classification. Experiments on 13 benchmarks demonstrate that D2MoE achieves consistent state-of-the-art performance, surpassing leading baselines by up to 7.92% in accuracy on heterophilous graphs. Notably, on large-scale graphs, it reduces memory consumption by up to 73.07% and training time by 46.53% compared to the best-performing Graph MoE, thereby validating its superior efficiency.

Explainable AI (XAI) methods reveal which features influence model predictions, yet provide limited means for practitioners to act on these explanations. Activation steering of components identified via XAI offers a path toward actionable explanations, although its practical utility remains understudied. We introduce an interactive workflow combining SAE-based attribution with activation steering for instance-level analysis of concept usage in vision models, implemented as a web-based tool. Based on this workflow, we conduct semi-structured expert interviews (N=8) with debugging tasks on CLIP to investigate how practitioners reason about, trust, and apply activation steering. We find that steering enables a shift from inspection to intervention-based hypothesis testing (8/8 participants), with most grounding trust in observed model responses rather than explanation plausibility alone (6/8). Participants adopted systematic debugging strategies dominated by component suppression (7/8) and highlighted risks including ripple effects and limited generalization of instance-level corrections. Overall, activation steering renders interpretability more actionable while raising important considerations for safe and effective use.

Recently, scaling reinforcement learning with verifiable rewards (RLVR) for large language models (LLMs) has emerged as an effective training paradigm for significantly improving model capabilities, which requires guiding the model to perform extensive exploration and learning, leading to substantial computational overhead and becoming a key challenge. To reduce the number of training steps, Prior work performs linear extrapolation of model parameters. However, the dynamics of model parameter updates during RLVR training remain insufficiently understood. To further investigate the evolution of LLMs during RLVR training, we conduct empirical experiments and find that the rank-1 subspace of the model does not evolve linearly, and its dominance over the original parameters is further amplified during LoRA training. Based on the above insights, we propose the Nonlinear Extrapolation of low-rank trajectories (NExt), a novel framework that models and extrapolates low-rank parameter trajectories in a nonlinear manner. Concretely, we first train the model using LoRA and extract the rank-1 subspace of parameter differences at multiple training steps, which is then used for the subsequent nonlinear extrapolation. Afterward, we utilized the extracted rank-1 subspace to train a predictor, which can model the trajectory of parameter updates during RLVR, and then perform the predict-extend process to extrapolate model parameters, achieving the acceleration of RLVR. To further study and understand NExt, we conduct comprehensive experiments that demonstrate the effectiveness and robustness of the method. Our method reduces computational overhead by approximately 37.5% while remaining compatible with a wide range of RLVR algorithms and tasks. We release our code in https://github.com/RUCAIBox/NExt.

Character description generation is an important capability for narrative-focused applications such as summarization, story analysis, and character-driven simulations. However, generating accurate character descriptions from long-form narratives (e.g., novels) is challenging: models must track evolving attributes (e.g., relationships and events), integrate evidence scattered across the text, and infer implicit details. Despite the success of reasoning-enabled LLMs on many benchmarks, we find that for character description generation their performance improves when built-in reasoning is disabled (i.e., an empty reasoning trace). Motivated by this, we propose a training framework that decouples reasoning from generation. Our approach, which can be applied on top of long-context LLMs or chunk-based methods, consists of a reasoning model that produces a structured QA reasoning trace and a generation model that conditions on this trace to produce the final character description. Experiments on two datasets (BookWorm and CroSS) show that QA-guided reasoning improves faithfulness, informativeness, and grounding over strong long-context baselines.

The “differentiability gap” presents a primary bottleneck in Earth system deep learning: since models cannot be trained directly on non-differentiable scientific metrics and must rely on smooth proxies (e.g., MSE), they often fail to capture high-frequency details, yielding “blurry” outputs. We develop a framework that bridges this gap using two different methods to deal with non-differentiable functions: the first is to analytically approximate the original non-differentiable function into a differentiable equivalent one; the second is to learn differentiable surrogates for scientific functionals. We formulate the analytical approximation by relaxing discrete topological operations using temperature-controlled sigmoids and continuous logical operators. Conversely, our neural emulator uses Lipschitz-convolutional neural networks to stabilize gradient learning via: (1) spectral normalization to bound the Lipschitz constant; and (2) hard architectural constraints enforcing geometric principles. We demonstrate this framework's utility by developing the Minkowski image loss, a differentiable equivalent for the integral-geometric measures of surface precipitation fields (area, perimeter, connected components). Validated on the EUMETNET OPERA dataset, our constrained neural surrogate achieves high emulation accuracy, completely eliminating the geometric violations observed in unconstrained baselines. However, applying these differentiable surrogates to a deterministic super-resolution task reveals a fundamental trade-off: while strict Lipschitz regularization ensures optimization stability, it inherently over-smooths gradient signals, restricting the recovery of highly localized convective textures. This work highlights the necessity of coupling such topological constraints with stochastic generative architectures to achieve full morphological realism.

Label-flipping attacks, which corrupt training labels to induce misclassifications at inference, remain a major threat to supervised learning models. This drives the need for robustness certificates that provide formal guarantees about a model's robustness under adversarially corrupted labels. Existing certification frameworks rely on ensemble techniques such as smoothing or partition-aggregation, but treat the corresponding base classifiers as black boxes, yielding overly conservative guarantees. We introduce EnsembleCert, the first certification framework for partition-aggregation ensembles that utilizes white-box knowledge of the base classifiers. Concretely, EnsembleCert yields tighter guarantees than black-box approaches by aggregating per-partition white-box certificates to compute ensemble-level guarantees in polynomial time. To extract white-box knowledge from the base classifiers efficiently, we develop ScaLabelCert, a method that leverages the equivalence between sufficiently wide neural networks and kernel methods using the neural tangent kernel. ScaLabelCert yields the first exact, polynomial-time calculable certificate for neural networks against label-flipping attacks. EnsembleCert is either on par, or significantly outperforms the existing partition-based black box certificates. Exemplary, on CIFAR-10, our method can certify upto +26.5% more label flips in median over the test set compared to the existing black-box approach while requiring 100 times fewer partitions, thus, challenging the prevailing notion that heavy partitioning is a necessity for strong certified robustness.

We present a framework for bridging the gap between sensor attack detection and recovery in cyber-physical systems. The proposed framework models modern-day, complex perception pipelines as bipartite graphs, which combined with anomaly detector alerts defines a Bayesian network for inferring compromised sensors. An active probing strategy exploits system nonlinearities to maximize distinguishability between attack hypotheses, while compromised sensors are selectively disabled to maintain reliable state estimation. We propose a threshold-based probing strategy and show its effectiveness via a simplified partially observable Markov decision process (POMDP) formulation. Experiments on an inverted pendulum under single and multi-sensor attacks show that our method significantly outperforms outlier-robust and prediction-based baselines, especially under prolonged attacks.

We present GlobalCY, a JAX-based framework for globally defined and symmetry-aware neural Kähler-potential models on projective hypersurface Calabi–Yau geometries. The central problem is that local-input neural Kähler-potential models can train successfully while still failing the geometry-sensitive diagnostics that matter in hard quartic regimes, especially near singular and near-singular members of the Cefalú family. To study this, we compare three model families – a local-input baseline, a globally defined invariant model, and a symmetry-aware global model – on the hard Cefalú cases $\lambda=0.75$ and $\lambda=1.0$ using a fixed multi-seed protocol and a geometry-aware diagnostic suite. In this benchmark, the globally defined invariant model is the strongest overall family, outperforming the local baseline on the two clearest geometric comparison metrics, negative-eigenvalue frequency and projective-invariance drift, in both cases. The gains are strongest at $\lambda=0.75$, while $\lambda=1.0$ remains more difficult. The current symmetry-aware model improves projective-invariance drift relative to the local baseline, but does not yet surpass the plain global invariant model. These results show that global invariant structure is a meaningful architectural constraint for learned Kähler-potential modeling in hard quartic Calabi–Yau settings.

Accurate interpretation of electrocardiogram (ECG) remains challenging due to the scarcity of labeled data and the high cost of expert annotation. Self-supervised learning (SSL) offers a promising solution by enabling models to learn expressive representations from unlabeled signals. Existing ECG SSL methods typically rely on either contrastive learning or reconstructive learning. However, each approach in isolation provides limited supervisory signals and suffers from additional limitations, including non-physiological distortions introduced by naive augmentations and trivial correlations across multiple leads that models may exploit as shortcuts. In this work, we propose CoRe-ECG, a unified contrastive and reconstructive pretraining paradigm that establishes a synergistic interaction between global semantic modeling and local structural learning. CoRe-ECG aligns global representations during reconstruction, enabling instance-level discriminative signals to guide local waveform recovery. To further enhance pretraining, we introduce Frequency Dynamic Augmentation (FDA) to adaptively perturb ECG signals based on their frequency-domain importance, and Spatio-Temporal Dual Masking (STDM) to break linear dependencies across leads, increasing the difficulty of reconstructive tasks. Our method achieves state-of-the-art performance across multiple downstream ECG datasets. Ablation studies further demonstrate the necessity and complementarity of each component. This approach provides a robust and physiologically meaningful representation learning framework for ECG analysis.

Automatic prompt optimization (APO) hinges on the quality of its evaluation signal, yet scoring every prompt candidate on the full training set is prohibitively expensive. Existing methods either fix a single evaluation subset before optimization begins (principled but prompt-agnostic) or adapt it heuristically during optimization (flexible but unstable and lacking formal guarantees). We observe that APO naturally maps to an online adaptive testing problem: prompts are examinees, training examples are test items, and the scheduler should select items that best discriminate among the strongest candidates. This insight motivates Prompt-Aware Online Evaluation Scheduling (POES), which integrates an IRT-based discrimination utility, a facility-location coverage term, and switching-cost-aware warm-start swaps into a unified objective that is provably monotone submodular, yielding a (1-1/e) greedy guarantee for cold starts and bounded drift for warm-start updates. An adaptive controller modulates the exploration-exploitation balance based on optimization progress. Across 36 tasks spanning three benchmark families, POES achieves the highest overall average accuracy (6.2 percent improvement over the best baseline) with negligible token overhead (approximately 4 percent) at the same evaluation budget. Moreover, principled selection at k = 20 examples matches or exceeds the performance of naive evaluation at k = 30-50, reducing token consumption by 35-60 percent, showing that selecting smarter is more effective than selecting more. Our results demonstrate that evaluation scheduling is a first-class component of APO, not an implementation detail.

IoT botnet detection has advanced, yet most published systems are validated on a single dataset and rarely generalise across environments. Heterogeneous feature spaces make multi-dataset training practically impossible without discarding semantic interpretability or introducing data integrity violations. No prior work has addressed both problems with a formally specified, reproducible methodology. This paper does. We introduce BRIDGE (Benchmark Reference for IoT Domain Generalisation Evaluation), the first formally specified heterogeneous multi-dataset benchmark for IoT intrusion detection, unifying CICIDS-2017, CIC-IoT-2023, Bot-IoT, Edge-IIoTset, and N-BaIoT through a 46-feature semantic canonical vocabulary grounded in CICFlowMeter nomenclature, with genuine-equivalence-only feature mapping, explicit zero-filling, and per-dataset coverage from 15% to 93%. A leave-one-dataset-out (LODO) protocol makes the generalisation gap precisely measurable: all five evaluated architectures achieve mean LODO F1 between 0.39 and 0.47, and we establish the first community generalisation baseline at mean LODO F1 = 0.5577, a result that shifts the agenda from single-benchmark optimisation toward cross-environment generalisation. We propose TCH-Net, a multi-branch network fusing a three-path Temporal branch (residual convolutional-BiGRU, stride-downsampled BiGRU, pre-LayerNorm Transformer), a provenance-conditioned Contextual branch, and a Statistical branch via Cross-Branch Gated Attention Fusion (CB-GAF) with learnable sigmoid gates for dynamic feature-wise mixing. Across five random seeds, TCH-Net achieves F1 = 0.8296 +/- 0.0028, AUC = 0.9380 +/- 0.0025, and MCC = 0.6972 +/- 0.0056, outperforming all twelve baselines (p < 0.05, Wilcoxon) and recording the highest LODO F1 overall. BRIDGE and the full pipeline are at https://github.com/Ammar-ss/TCH-Net.

We introduce the Structured Sparsity Specification (S$^3$), an algebraic framework for defining, composing, and implementing structured sparse patterns. S$^3$ specifies sparsity through three components: a View that reshapes the tensor via layout composition, a Block specification that defines the atomic pruning unit, and the sparsity decision Scope. Both Block and Scope support Coupling across tensors for coordinated sparsification. S$^3$ enables precise specification of diverse sparsity structures, from fine-grained N:M patterns to coarse channel pruning, and integrates seamlessly with Optimal Brain Damage (OBD) and Surgeon (OBS). We formalize the framework mathematically, demonstrate its expressiveness on canonical patterns, and validate it experimentally via structured OBS and OBD implementations built entirely on S$^3$, which surpasses well-established second order heuristics on output reconstruction across common configurations.

Diffusion-based models on continuous spaces have seen substantial recent progress through the mathematical framework of gradient flows, leveraging the Wasserstein-2 (${W}_2$) metric via the Jordan-Kinderlehrer-Otto (JKO) scheme. Despite the increasing popularity of diffusion models on discrete spaces using continuous-time Markov chains, a parallel theoretical framework based on gradient flows has remained elusive due to intrinsic challenges in translating the ${W}_2$ distance directly into these settings. In this work, we propose the first computational approach addressing these challenges, leveraging an appropriate metric $W_K$ on the simplex of probability distributions, which enables us to interpret widely used discrete diffusion paths, such as the discrete heat equation, as gradient flows of specific free-energy functionals. Through this theoretical insight, we introduce a novel methodology for learning diffusion dynamics over discrete spaces, which recovers the underlying functional directly by leveraging first-order optimality conditions for the JKO scheme. The resulting method optimizes a simple quadratic loss, trains extremely fast, does not require individual sample trajectories, and only needs a numerical preprocessing computing $W_K$-geodesics. We validate our method through extensive numerical experiments on synthetic data, showing that we can recover the underlying functional for a variety of graph classes.

Large Language Models (LLMs) face prominent security risks from jailbreaking, a practice that manipulates models to bypass built-in security constraints and generate unethical or unsafe content. Among various jailbreak techniques, multi-turn jailbreak attacks are more covert and persistent than single-turn counterparts, exposing critical vulnerabilities of LLMs. However, existing multi-turn jailbreak methods suffer from two fundamental limitations that affect the actual impact in real-world scenarios: (a) As models become more context-aware, any explicit harmful trigger is increasingly likely to be flagged and blocked; (b) Successful final-step triggers often require finely tuned, model-specific contexts, making such attacks highly context-dependent. To fill this gap, we propose Salami Slicing Risk, which operates by chaining numerous low-risk inputs that individually evade alignment thresholds but cumulatively accumulate harmful intent to ultimately trigger high-risk behaviors, without heavy reliance on pre-designed contextual structures. Building on this risk, we develop Salami Attack, an automatic framework universally applicable to multiple model types and modalities. Rigorous experiments demonstrate its state-of-the-art performance across diverse models and modalities, achieving over 90% Attack Success Rate on GPT-4o and Gemini, as well as robustness against real-world alignment defenses. We also proposed a defense strategy to constrain the Salami Attack by at least 44.8% while achieving a maximum blocking rate of 64.8% against other multi-turn jailbreak attacks. Our findings provide critical insights into the pervasive risks of multi-turn jailbreaking and offer actionable mitigation strategies to enhance LLM security.

Conformal selection (CS) uses calibration data to identify test inputs whose unobserved outcomes are likely to satisfy a pre-specified minimal quality requirement, while controlling the false discovery rate (FDR). Existing methods fix the target FDR level before observing data, which prevents the user from adapting the balance between number of selected test inputs and FDR to downstream needs and constraints based on the available data. For example, in genomics or neuroimaging, researchers often inspect the distribution of test statistics, and decide how aggressively to pursue candidates based on observed evidence strength and available follow-up resources. To address this limitation, we introduce post-hoc CS (PH-CS), which generates a path of candidate selection sets, each paired with a data-driven false discovery proportion (FDP) estimate. PH-CS lets the user select any operating point on this path by maximizing a user-specified utility, arbitrarily balancing selection size and FDR. Building on conformal e-variables and the e-Benjamini-Hochberg (e-BH) procedure, PH-CS is proved to provide a finite-sample post-hoc reliability guarantee whereby the ratio between estimated FDP level and true FDP is, on average, upper bounded by 1, so that the average estimated FDP is, to first order, a valid upper bound on the true FDR. PH-CS is extended to control quality defined in terms of a general risk. Experiments on synthetic and real-world datasets demonstrate that, unlike CS, PH-CS can consistently satisfy user-imposed utility constraints while producing reliable FDP estimates and maintaining competitive FDR control.

Despite the success of reinforcement learning for large language models, a common failure mode is reduced sampling diversity, where the policy repeatedly generates similar erroneous behaviors. Classical entropy regularization encourages randomness under the current policy, but does not explicitly discourage recurrent failure patterns across rollouts. We propose MEDS, a Memory-Enhanced Dynamic reward Shaping framework that incorporates historical behavioral signals into reward design. By storing and leveraging intermediate model representations, we capture features of past rollouts and use density-based clustering to identify frequently recurring error patterns. Rollouts assigned to more prevalent error clusters are penalized more heavily, encouraging broader exploration while reducing repeated mistakes. Across five datasets and three base models, MEDS consistently improves average performance over existing baselines, achieving gains of up to 4.13 pass@1 points and 4.37 pass@128 points. Additional analyses using both LLM-based annotations and quantitative diversity metrics show that MEDS increases behavioral diversity during sampling.

At K=16 tokens (0.4% of a 4K context), every existing KV-cache compression method achieves 0% on credential retrieval. The failure mode is dormant tokens: credentials, API keys, and configuration values that receive near-zero attention but become essential at generation time. Because these tokens lack the statistical signals that eviction policies rely on, no method based on attention scores, reconstruction loss, or learned retention gates retains them. We introduce Transactional Attention (TA), a sponsorship mechanism in which structural anchor patterns (e.g., "key:", "password:") protect adjacent value-bearing tokens from eviction. TA achieves 100% credential retrieval at K=16 where six baselines (H2O, TOVA, SnapKV, StreamingLLM, PyramidKV, DynamicKV) achieve 0%, and sustains 100% accuracy across 200 function-calling trials. TA-Fast, an attention-free variant, reduces memory overhead by 52% and is compatible with SDPA and FlashAttention. TA is orthogonal to existing compression methods and adds less than 1% latency overhead.

We present THEIA, a 2.75M-parameter modular neural architecture that learns the complete Kleene three-valued logic (K3) truth table from task data without external symbolic inference or hand-encoded K3 gate primitives. Across 5 seeds it passes all 39 K3 rules at >99% per-rule accuracy. K3 learnability is not the central finding: Transformer baselines also pass all 39 rules, and flat MLPs match THEIA on Phase-1 accuracy within 0.04pp. The contributions are two properties of the learned system. (1) Uncertainty-verdict asymmetric propagation. THEIA preserves Has-Unknown at every upstream boundary (80.0/91.1/90.8/99.7% across Arith/Order/Set/Logic vs. ~52% majority) while final-verdict decodability stays at or below a 73.4% U-vs-non-U oracle reference under linear and nonlinear probes. Activation patching on non-absorbent T->U cases flips 4,898/4,898 OR and 4,719/4,719 AND pairs across 5 seeds, ruling out residual shortcuts. (2) Reliability spectrum under discretized end-to-end training, on tasks decomposable along the engine boundaries. A mod-3 sequential composition task generalizes from 5- to 500-step evaluation at 99.96+-0.04% (5 seeds). Under identical Gumbel-softmax training, flat MLPs collapse to chance by 50 steps; a 2x2 ResMLP grid reaches >=99% on only 3/20 (config, seed) trials; a pre-LN Transformer reaches 99.24+-0.34%. Straight-through discretization prevents 0.999^500 compounding; the architectural separator is sustaining Phase-1 accuracy under Phase-3 training, where flat MLPs fail. Auxiliary: under per-architecture development defaults (not optimizer-controlled), THEIA reaches 12/12 Kleene coverage 6.5x faster than a parameter-comparable 8L Transformer; this narrows to ~3.6x with Transformer-standard tuning and 4.93x with the same recipe on both. Ratios are config-specific, not asymptotic.

In federated learning (FL), accommodating clients with diverse resource constraints remains a significant challenge. A widely adopted approach is to use a shared full-size model, from which each client extracts a submodel aligned with its computational budget. However, regardless of the specific scoring strategy, these methods rely on the same global backbone, limiting both structural diversity and representational adaptation across clients. This paper presents FRAMP, a unified framework for personalized and resource-adaptive federated learning. Instead of relying on a fixed global model, FRAMP generates client-specific models from compact client descriptors, enabling fine-grained adaptation to both data characteristics and computational budgets. Each client trains a tailored lightweight submodel and aligns its learned representation with others to maintain global semantic consistency. Extensive experiments on vision and graph benchmarks demonstrate that FRAMP enhances generalization and adaptivity across a wide range of client settings.

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate spatio-temporal forecasting as the problem of learning information flow over locally structured spaces, rather than propagating globally aligned node representations. To this end, we introduce a spatio-temporal sheaf diffusion graph neural network (ST-Sheaf GNN) that embeds graph topology into sheaf-based vector spaces connected by learned linear restriction maps. Unlike prior approaches relying on static or globally shared transformations, our model learns dynamic restriction maps that evolve over time and adapt to local spatio-temporal patterns, enabling more expressive interactions. The proposed framework both theoretically guarantees and empirically demonstrates evidence that the proposed diffusion mechanism mitigates oversmoothing, preserving discriminative node representations even with increasing diffusion layer depth. Experiments on diverse real-world spatio-temporal forecasting benchmarks across multiple domains demonstrate state-of-the-art performance, highlighting the effectiveness of sheaf topological representations as a principled foundation for spatio-temporal graph learning. The code is available at: https://anonymous.4open.science/r/ST-SheafGNN-6523/.

We present mycelium-index, a streaming approximate nearest neighbor (ANN) index for high-dimensional vector spaces, inspired by the adaptive growth patterns of biological mycelium. The system continuously adapts its topology through myelial edge decay and reinforcement, a traffic-driven living hierarchy, and hybrid deletion combining O(1) bypass for cold nodes with O(k) beam-search repair for hub nodes. Experimental evaluation on SIFT-1M demonstrates that mycelium achieves 0.927 +/- 0.028 recall@5 under FreshDiskANN's 100%-turnover benchmark protocol – within the measurement confidence interval of FreshDiskANN's ~0.95 – while using 5.7x less RAM (88 MB vs. >500 MB) and achieving 4.7x higher QPS (2,795 vs. ~600). On the static index, at ef=192, mycelium matches HNSW M=16 recall (0.962 vs. 0.965) at 5.2x less RAM (163 MB vs. 854 MB). Performance optimizations including NEON SIMD distance computation, Vec-backed node storage, and bitset visited tracking yield a cumulative 2.7x QPS improvement. A systematic study of ten streaming repair mechanisms finds that geometric heuristics universally fail in high dimensions, while topological mechanisms succeed – a principle we term the topological repair invariance of high-dimensional ANN graphs.

Accurate prediction of antibody-antigen binding affinity is fundamental to therapeutic design, yet remains constrained by severe label sparsity and the complexity of antigenic variations. In this paper, we propose AbLWR (Antibody-antigen binding affinity List-Wise Ranking), a novel framework that reformulates the conventional affinity regression task as a listwise ranking problem. To mitigate label sparsity, AbLWR incorporates a PU (Positive-Unlabeled) learning mechanism leveraging a dual-level contrastive objective and meta-optimized label refinement to learn robust representations. Furthermore, we address antigenic variation by employing a homologous antigen sampling strategy where Multi-Head Self-Attention (MHSA) explicitly models inter-sample relationships within training lists to capture subtle affinity nuances. Extensive experiments demonstrate that AbLWR significantly outperforms state-of-the-art baselines, improving the Precision@1 (P@1) by over 10$\%$ in randomized cross-validation experiments. Notably, case studies on Influenza and IL-33 validate its practical utility, demonstrating robust ranking consistency in distinguishing subtle viral mutations and efficiently prioritizing top-tier candidates for wet-lab screening.

Accurate and efficient surrogate models for aerodynamic surface pressure fields are essential for accelerating aircraft design and analysis, yet deterministic regressors trained with pointwise losses often smooth sharp nonlinear features. This work presents a conditional denoising diffusion probabilistic model for predicting surface pressure distributions on the NASA Common Research Model wing under varying conditions of Mach number, angle of attack, and four control surface deflections. The framework operates on unstructured surface data through a principal component representation used as a non-truncated, reversible linear reparameterization of the pressure field, enabling a fully connected architecture. A signal-aware training objective is derived by propagating a reconstruction loss through the diffusion process, yielding a timestep-dependent weighting that improves fidelity in regions with strong pressure gradients. The stochastic sampling process is analyzed through repeated conditional generations, and two diagnostic metrics are introduced, the Local Reliability Index and Global Reliability Index, to relate sampling-induced spread to reconstruction error. Relative to the considered deterministic baselines, the proposed formulation reduces mean absolute error and improves the reconstruction of suction peaks, shock structures, and control surface discontinuities. The sampling-induced spread exhibits strong correspondence with surrogate error, supporting its interpretation as a qualitative reliability indicator rather than calibrated uncertainty quantification.

Graph Data Prompt (GDP), which introduces specific prompts in graph data for efficiently adapting pre-trained GNNs, has become a mainstream approach to graph fine-tuning learning problem. However, existing GDPs have been respectively designed for distinct graph component (e.g., node features, edge features, edge weights) and thus operate within limited prompt spaces for graph data. To the best of our knowledge, it still lacks a unified prompter suitable for targeting all graph components simultaneously. To address this challenge, in this paper, we first propose to reinterpret a wide range of existing GDPs from an aspect of Graph Message Prompt (GMP) paradigm. Based on GMP, we then introduce a novel graph prompt learning approach, termed Low-Rank GMP (LR-GMP), which leverages low-rank prompt representation to achieve an effective and compact graph prompt learning. Unlike traditional GDPs that target distinct graph components separately, LR-GMP concurrently performs prompting on all graph components in a unified manner, thereby achieving significantly superior generalization and robustness on diverse downstream tasks. Extensive experiments on several graph benchmark datasets demonstrate the effectiveness and advantages of our proposed LR-GMP.

Feature importance methods using unrestricted permutations are flawed due to extrapolation errors; such errors appear in all non-trivial variable importance approaches. We propose three new approaches: conditional model reliance and Knockoffs with Gaussian transformation, and restricted ALE plot designs. Theoretical and numerical results show our strategies reduce/eliminate extrapolation.

We analyze two widely used local attribution methods, Local Shapley Values and LIME, which aim to quantify the contribution of a feature value $x_i$ to a specific prediction $f(x_1, \dots, x_p)$. Despite their widespread use, we identify fundamental limitations in their ability to reliably detect locally important features, even under ideal conditions with exact computations and independent features. We argue that a sound local attribution method should not assign importance to features that neither influence the model output (e.g., features with zero coefficients in a linear model) nor exhibit statistical dependence with functionality-relevant features. We demonstrate that both Local SV and LIME violate this fundamental principle. To address this, we propose R-LOCO (Regional Leave Out COvariates), which bridges the gap between local and global explanations and provides more accurate attributions. R-LOCO segments the input space into regions with similar feature importance characteristics. It then applies global attribution methods within these regions, deriving an instance's feature contributions from its regional membership. This approach delivers more faithful local attributions while avoiding local explanation instability and preserving instance-specific detail often lost in global methods.

Real-time free-viewpoint rendering requires balancing multi-camera redundancy with the latency constraints of interactive applications. We address this challenge by combining lightweight geometry with learning and propose 3DTV, a feedforward network for real-time sparse-view interpolation. A Delaunay-based triplet selection ensures angular coverage for each target view. Building on this, we introduce a pose-aware depth module that estimates a coarse-to-fine depth pyramid, enabling efficient feature reprojection and occlusion-aware blending. Unlike methods that require scene-specific optimization, 3DTV runs feedforward without retraining, making it practical for AR/VR, telepresence, and interactive applications. Our experiments on challenging multi-view video datasets demonstrate that 3DTV consistently achieves a strong balance of quality and efficiency, outperforming recent real-time novel-view baselines. Crucially, 3DTV avoids explicit proxies, enabling robust rendering across diverse scenes. This makes it a practical solution for low-latency multi-view streaming and interactive rendering. Project Page: https://stefanmschulz.github.io/3DTV_webpage/

We present CapBench, a fully reproducible, multi-PDK dataset for capacitance extraction. The dataset is derived from open-source designs, including single-core CPUs, systems-on-chip, and media accelerators. All designs are fully placed and routed using 14 independent OpenROAD flow runs spanning three technology nodes: ASAP7, NanGate45, and Sky130HD. From these layouts, we extract 61,855 3D windows across three size tiers to enable transfer learning and scalability studies. High-fidelity capacitance labels are generated using RWCap, a state-of-the-art random-walk solver, and validated against the industry-standard Raphael, achieving a mean absolute error of 0.64% for total capacitance. Each window is pre-processed into density maps, graph representations, and point clouds. We evaluate 10 machine learning architectures that illustrate dataset usage and serve as baselines, including convolutional neural networks (CNNs), point cloud transformers, and graph neural networks (GNNs). CNNs demonstrate the lowest errors (1.75%), while GNNs are up to 41.4x faster but exhibit larger errors (10.2%), illustrating a clear accuracy-speed trade-off. Code and dataset are available at https://github.com/THU-numbda/CapBench.

Changes in input distribution can induce shifts in the average predictions of machine learning models. Such prediction shifts may impact downstream business outcomes (e.g. a bank's loan approval rate), so understanding their causes can be crucial. We propose \ours{}: a Shapley value method for attributing prediction shifts to changes in the conditional probabilities of interpretable subgroups of data, where these subgroups are defined by the structure of decision trees. We initially apply this method to single decision trees, providing exact explanations based on conditional probability changes at split nodes. Next, we extend it to tree ensembles by selecting the most explanatory tree and accounting for residual effects. Finally, we propose a model-agnostic variant using surrogate trees grown with a novel objective function, allowing application to models like neural networks. While exact computation can be intensive, approximation techniques enable practical application. We show that \ours{} provides simple, faithful, and near-complete explanations of prediction shifts across model classes, aiding model monitoring in dynamic environments.