Papers

The discovery of novel inorganic materials drives technological breakthroughs in critical fields such as computing and energy storage. Generative AI has promised to accelerate the materials discovery pipeline, but state-of-the-art flow and diffusion models remain bottlenecked by the cost of proposing candidate materials. To address this, we introduce OMatG-flash, an all-atom flow map for inorganic crystal structure prediction (CSP) and de novo generation (DNG). OMatG-flash is a Pareto-optimal inference engine for materials, sampling candidate materials with an order of magnitude fewer inference steps and less wall-clock time than existing flow and diffusion models while demonstrating benchmark performance on par with the state-of-the-art. To enable post-training fine-tuning we apply Reinforce Adjoint Matching to flow maps, further improving match rates and RMSE on the unconditional CSP task. OMatG-flash showcases the potential of flow maps to accelerate generation of high-quality candidate inorganic materials and demonstrates a step forward in sample throughput necessary for data-hungry materials discovery workflows.

Conventional wisdom in deep learning holds that overparameterization—having more parameters $p$ than training samples $n$—is benign: larger models generalize better and, even without regularization, interpolating models generalize well, the test error following a double-descent curve. One might expect the same benign overfitting for diffusion models, whose training reduces to regression, i.e. to minimizing a quadratic score-matching loss. Yet the opposite is observed: overfitting here is catastrophic, driving the model into a memorization regime. We resolve this paradox by combining experiments on U-Nets trained on CelebA with a random-features model for which we derive closed-form learning curves. We show that with a fixed number $m$ of noise realizations per training sample, an interpolation peak does occur, but at $p\sim nm$ rather than at $p\sim n$ as in standard regression. The rise of the test loss, however, sets in much earlier, at $p\sim n$, independently of $m$. This overfitting is malign because, although the implicit regularization of training is fully at work, it drives the model toward the empirical score, which memorizes the training set, rather than toward the true score. A bias-variance decomposition pinpoints the mechanism: the bias of the score estimator starts to grow at $p\sim n$; past the peak the variance decays, as in regression, whereas the bias keeps growing and both saturate at a large value. Since diffusion models are trained with $m\gg1$, the peak is pushed to very large model sizes, and therefore sit on the rising branch that precedes it, where malign overfitting is already in play. Nevertheless, overparameterization remains beneficial when paired with regularization: in the random-features theory and in U-Net experiments, optimally regularized large models—via a ridge penalty or early stopping, respectively—outperform any unregularized models.

Real-world time series evolve continuously, with meaningful changes potentially emerging at any moment. However, existing time-series language models (TSLMs) remain inherently static. They either receive complete sequences for offline processing or alternate between streaming input and response generation, which prevents processing of new observations during interaction. We introduce a new regime, Time-Series Interaction: a model continuously perceives incoming time-series observations and user intent, autonomously decides when to remain silent or respond, and continues processing new observations during response generation. To realize this, we develop TimeInteract with three key designs: a dual-view streaming TS encoder that captures local variations and historical dynamics, a response control mechanism that learns when to trigger a response, and a decoupled streaming inference mechanism that separates control from response generation to avoid blocking subsequent observations. We further formulate a hierarchy of interaction capabilities, progressing from Understanding to Adaptivity. Based on this hierarchy, we construct StreamTSI-34K, a large-scale streaming TS interaction dataset with 34,588 episodes and 77,505 responses across synthetic and real-world time series in single- and multi-turn settings. Across all four interaction levels, TimeInteract consistently outperforms existing LLMs, VLMs, and TSLMs, with gains of up to 23.92 points on challenging tasks. It also improves response triggering while achieving near-zero stream stall and up to $2.15\times$ inference speedup.

Recent advances in large language models (LLMs) have made them widely used for code-related tasks. Identifier names are statistically informative in naturally occurring code, but their information is not always reliable. We investigate whether current LLMs assign disproportionate weight to lexical cues when renaming preserves program structure. We introduce Face/Off, a semantics-preserving identifier-renaming framework, and evaluate progressive naming conditions across multiple models and code-comprehension tasks. Within this framework, lexical overemphasis is pervasive across the evaluated models and primary tasks: performance generally decreases as identifier information is removed or made misleading, and outputs are often directed toward the meanings suggested by misleading names. The pattern persists under representative prompt- and fine-tuning-based interventions, suggesting that lexical overemphasis is an entrenched problem. A type-inference control confirms a boundary: naming effects are smaller when the answer is locally recoverable without the target name. These results do not imply that identifiers are unhelpful; rather, they reveal a systematic vulnerability in how current LLMs balance lexical cues against program structure. Our findings motivate evaluations and modeling methods that preserve the benefits of natural code regularities while keeping conclusions grounded in accurate, formalized code semantics.

Medical image interpretation is high-volume and time-consuming, and while AI interpretation can reduce workload, fully autonomous deployment carries potential safety concerns and low specificity may in practice lead to increased clinician workload. Learning to Defer (L2D) addresses this by selectively routing cases between autonomous prediction and human experts by learning from input features and AI model and human performance. While theoretical guarantees have been proven for L2D, its performance has not been validated on real-world medical datasets with human reader annotations. We evaluate the predictor-rejector formulation of two-stage L2D, where the AI predictor model is fixed and separate from the trainable routing or rejector model, on Collab-CXR, a multilabel chest X-ray dataset with multiple human annotations per case. This is the first work to look at L2D in the context of real-world medical imaging data with human annotations. We further introduce a new setup, L2D with Guidance, where the decision space is extended to three choices: predict autonomously, defer to a human expert, or defer to a human expert and provide AI guidance. We compare multiple rejector architectures and loss functions, and different input feature availabilities. This is reproduced on two larger datasets, VinDr-CXR and CheXpert. Our results show that two-stage L2D with Guidance outperforms classic two-stage learning to defer, as well as human-alone, AI-alone and AI-guided human baselines. Notably, this performance is achieved with simpler loss functions compared to formally defined L2D surrogate loss functions in current literature.

Successful mobile manipulation requires coordinated base and arm motion while maintaining accurate spatial positioning. However, demonstration-trained policies can struggle to realise the intended base motion reliably, leading to spatial misalignment and subsequent manipulation failures. We present MAVP (Map-Aware Visuomotor Policies), a framework that improves execution reliability by predicting explicit base-pose targets and tracking them using localisation feedback. MAVP reconstructs a static map from teleoperated demonstrations and expresses demonstrated base trajectories in a shared map frame, providing consistent spatial supervision across demonstrations. At execution time, the policy receives RGB observations, joint states, and the robot's current map-frame base pose, and jointly predicts target base poses, arm actions, and gripper actions. A low-level controller tracks the predicted base targets using feedforward motion and pose error feedback, enabling correction of execution deviations. We additionally use pose-noise augmentation during training to improve robustness to errors in the policy's pose input. Across six real-world manipulation tasks and three policy families, MAVP achieves higher task success rates than unanchored velocity control in all tasks. Videos and additional results are available at https://123qwedsa123.github.io/mavp/.

Fairness-aware distributed learning prioritizes clients with large losses to reduce performance disparities, but label poisoning can create large losses, thereby inducing a fairness–robustness conflict. We propose FairMean to manage this conflict. FairMean weights client gradients using a bounded, nondecreasing function of local loss. The increasing weights prioritize high-loss clients to promote fairness, while the upper bound prevents excessive loss-induced amplification of poisoned-client gradients. In the absence of label poisoning, we show that minimizing the FairMean objective is more conducive to solution fairness than minimizing the standard average-loss objective. Under label poisoning, we establish an average-stationarity bound whose attack-dependent term is proportional to the square of the poisoned-client fraction. Experiments show that FairMean promotes fairness by reducing accuracy variance while improving worst-client accuracy.

With the rapid pace of AI research and the hundreds of daily new publications, staying up-to-date with the latest developments has become increasingly difficult. For researchers, quickly identifying impactful work is essential, yet manually reviewing each new publication is impractical. Automated impact prediction methods help address this challenge, usually by combining various information sources available, such as a paper's content or citation history. In this work, we propose using GitHub engagement as an additional source and demonstrate that it provides both a timely and accurate signal. To this end, we introduce GitScholar, a novel dataset that links GitHub activity from 444,000 repositories to over 558,000 AI arXiv papers. Our experiments show that GitHub reactions improve early prediction precision by up to 12% over a strong academic baseline. Additionally, we find that GitHub signal offers near-complete coverage of high-impact AI papers, and consistently correlates with future academic success. GitScholar is publicly available at https://huggingface.co/datasets/huawei-csl/GitScholar.

Reinforcement learning has become a central component of large language model (LLM) post-training, yet token-level credit lacks a generally accepted mathematical definition, leaving its relationship to commonly used training signals unclear. We formulate three regularity conditions, namely Completeness, Prefix Consistency, and Neutrality, and prove that they uniquely determine token-level credit. This characterization provides a unified basis for explaining phenomena across existing algorithms and guides the development of an improved actor-critic training procedure. Through this lens, an ideal teacher in On-Policy Distillation (OPD) acts as an implicit critic, yielding an expected policy gradient proportional to that induced by token-level credit. Response-level REINFORCE Leave-One-Out (RLOO) signals match the expected policy-gradient contribution of token-level credit despite their coarser granularity. We further establish approximate credit sparsity under bounded outcome rewards and show how intermediate critic errors in Generalized Advantage Estimation (GAE) can become comparable to the underlying credit. These motivate Policy Aligned Critic Training (PACT), which adopts an Actor-then-Critic update order to apply importance sampling correction to critic training and better align the critic with the updated policy. In agentic mathematical reasoning, PACT achieves 72.87% average accuracy across four benchmarks, outperforming GRPO and PPO by 8.80 and 13.16 percentage points, respectively. On SWE-bench Verified, PACT achieves a pass rate of 67.4%, outperforming PPO, GRPO, and SAO by 2.4, 2.0, and 3.8 percentage points, respectively.

Concept drift, driven by the rapid evolution of Android malware, severely degrades the performance of machine learning detectors. Current adaptation strategies are often reactive, responding only after performance has dropped and imposing a significant manual annotation burden, or they are proactive but rely on unstable adversarial training and incomplete, single-level graph representations. To overcome these limitations, we propose HYDRA (Hybrid Drift Adaptation), a proactive adaptation framework that learns drift-invariant representations from hierarchically structured data. HYDRA first models applications using a hybrid graph structure, combining fine-grained Control Flow Graphs (CFGs) and coarse-grained Function Call Graphs (FCGs) to capture comprehensive behavioral patterns. It then introduces a novel cross-domain contrastive learning objective that aligns historical (source) and new (target) data distributions. By generating pseudo-labels for unlabeled target samples, our method pulls representations of semantically similar applications together, regardless of their domain, within a single, stable optimization process. This approach unifies feature learning and domain alignment, eliminating the need for complex adversarial objectives. Extensive experiments on large-scale, time-ordered malware datasets demonstrate that HYDRA achieves substantially lower False Negative and False Positive Rates than state-of-the-art baselines while requiring up to 87.5% fewer labeled samples. Our work thus offers a robust and efficient solution to combat concept drift in security applications.

The scarcity of non-English language data in specialized domains significantly limits the development of effective Natural Language Processing (NLP) tools. We present TransBERT, a novel framework for pre-training language models using exclusively synthetically translated text, and introduce TransCorpus, a scalable translation toolkit. Focusing on the life sciences domain in French, our approach demonstrates that state-of-the-art performance on various downstream tasks can be achieved solely by leveraging synthetically translated data. We release the TransCorpus toolkit, the TransCorpus-bio-fr corpus (36.4GB of French life sciences text), TransBERT-bio-fr, its associated pre-trained language model and reproducible code for both pre-training and fine-tuning. Our results highlight the viability of synthetic translation in a high-resource translation direction for building high-quality NLP resources in low-resource language/domain pairs.

Residual Vector Quantization turns continuous representations into discrete, multi-level token sequences. Yet most methods operate in Euclidean space, despite the coarse-to-fine structure of the resulting codes and the latent hierarchies present in many data domains. Hyperbolic geometry offers a natural alternative for hierarchical representations, but naive hyperbolic extensions introduce geometric inconsistencies: non-associative hyperbolic addition prevents consistent residual aggregation, while standard straight-through gradient estimation ignores the geometry of the latent space. We propose a geometry-aware hyperbolic residual quantization that addresses these issues in both the forward and backward passes. In the forward pass, Hyperbolic Residual Aggregation restores the telescoping behavior of residual quantization on the Poincare ball. In the backward pass, a discounted Hyperbolic Straight-Through Estimator routes the reconstruction gradient through the quantizer as a single geometric block, avoiding unstable recursive gradient transport across residual stages. Evaluations on hierarchical prediction, recommendation, image tokenization, and neural audio coding tasks show that our method improves the stability and structural organization of hyperbolic residual codes over naive hyperbolic baselines. At the same time, we observe a clear structure-compression trade-off: Euclidean residual quantization remains preferable for pure compression, while geometry-aware hyperbolic quantization is most useful for hierarchically organized discrete latent spaces.

Prefill and decode reward different approaches to quantization: low-precision arithmetic accelerates prompt processing, while compact weights reduce memory traffic during generation. We propose "disaggregated quantization" (DQ), which specializes computation formats, weights and storage placement to both of these phases. On Qwen 3 and Gemma 3, removing activation quantization specifically on decode improves accuracy on decode-heavy tasks without increasing inference cost. Training separate compute-native prefill weights accelerates prompt processing relative to weight-only inference while matching or exceeding its accuracy at 2-3-bit decode on both decode-heavy and prefill-heavy tasks. With released Qwen3.8-27B GGUF decoders, training an NVFP4 prefiller improves 1-bit accuracy by 32.5 points on MMLU-Pro and 35.3 on MMMU-Pro without modifying the decode checkpoint. To accommodate the additional checkpoint on a single device, offloaded disaggregated prefill (ODP) streams its weights from SSD, amortizing loading over prompt length. On the same 27B model, ODP delivers a 1.78x time-to-first-token speedup over the weight-only baseline at 8K prompt length in llama.cpp. We evaluate accuracy under disaggregated serving in vLLM and further validate shared-weight format disaggregation through post-training quantization on models up to 2.8T parameters.

We study preference elicitation under the Bradley-Terry-Luce (BTL) model where the true partworth vector is unknown and has to be estimated as a parameter with elicited preference information. The set of selected pairwise queries is non-uniform, deterministic, and arbitrary over a collection of alternatives, provided that it satisfies a joint identifiability condition. We focus on understanding when the canonical maximum likelihood estimator (MLE) is finite and admits sharp error bounds without explicit compactness constraints on the feasible set or external regularizers. To this end, we derive minimax lower bounds under the standard bounded dynamic range condition, and find that the same Fisher-information geometry in the classic Cramér-Rao lower bounds underpins the finite-sample difficulty of the estimation problem. By combining a non-asymptotic expansion of the likelihood score equation with a fixed-point localization argument, we identify a design-dependent sample size threshold above which the unconstrained canonical MLE exists and is unique with high probability. The same expansion yields a decomposition of the estimation error into a linear stochastic term, an explicit second-order bias, and a higher-order remainder. A refined analysis gives sufficient sample size conditions under which the canonical MLE attains the minimax rates up to logarithmic and constant factors. These results provide a unified non-asymptotic theory for parametric utility elicitation and reveal when the inference is determined by response data alone rather than by external regularization. Preliminary numerical results are consistent with the theoretical findings.

Graph neural networks have achieved strong performance in node classification by aggregating information from graph neighborhoods. However, a single aggregation mechanism may be insufficient to capture diverse structural patterns across graph datasets. Moreover, independently training multiple structural branches can introduce substantial overhead without necessarily producing stable node representations. To address these issues, this paper proposes PreGS, a parameter-transfer-based multi-expert graph neural network framework. PreGS first pretrains a multi-head graph attention network (GAT) and transfers the linear transformation weights of its first-layer attention heads to multiple GraphSAGE experts. The transferred experts are frozen and used as complementary structural branches. The fused raw node features, GAT head representations, and GraphSAGE expert representations are fed into a multilayer perceptron (MLP), whose output is further fused with the pretrained GAT logits. Based on PreGS, we further develop PreGSv2, which introduces source-level weighting and a structural gating mechanism for adaptive multi-source feature integration. Experiments on eight public graph datasets show that PreGS and PreGSv2 achieve competitive performance against representative graph neural network baselines. Ablation, parameter-transfer, sensitivity, aggregator, visualization, and training-time analyses further validate the effectiveness and stability of the proposed framework. The code and datasets are available at https://github.com/LH-Czc/PreGS.

Forecasters often score the same units per date against one standardized realized outcome. We show that every standardized forecast splits exactly into a component aligned with this common target and a component uncorrelated with it. Three consequences follow: forecast-error correlation largely mirrors forecast correlation and is therefore a poor measure of diversity; an equally weighted combination beats a no-information forecast only when average alignment is large relative to the combination's dispersion; and the gain from adding a forecaster separates into genuine improvement and mere dilution, which equal-weight admission can mistakenly reward. We develop a cautious selection rule, study it in simulations, and apply it to language-model forecasts of US equity rankings and mechanical signals ranking exchange-traded funds. Selection removes most dilution losses, but no combination beats the no-information forecast.

Despite their strong performance, large language models (LLMs) are bottlenecked by KV cache memory traffic during long-context inference. Sparse attention is widely used to accelerate LLM inference by computing exact attention over a selected subset of tokens. To recover the contribution of tokens excluded from exact attention, recent methods apply coarse-grained compensation to the omitted attention tail. However, existing methods typically select tokens based on attention mass and only then compensate for the unselected tokens. This decoupled design overlooks their interaction: selection should prioritize tokens that would leave the largest compensation error if omitted. To address this limitation, we introduce CompKV, the first compensation-aware sparse attention framework that divides tokens into blocks and explicitly optimizes selection for the downstream compensation mechanism. Our theoretical analysis shows that the residual left by block-level mean compensation is governed by both block attention mass and within-block logit variation. We approximate this residual using compact block-level statistics, yielding a deployable selection criterion. We further develop an efficient asynchronous implementation. Experiments on RULER and LongBench-Pro show that CompKV performs best among the evaluated sparse baselines while delivering up to a $6.85\times$ self-attention speedup over full attention.

Causal tabular foundation models amortize effect estimation across synthetic mechanisms, but latent-effect supervision rewards posterior shrinkage rather than encoding the repeated-sample response needed in a fixed deployment population. We introduce fluctuation-supervised pretraining (FSP): each synthetic table is labeled by its average treatment effect plus its efficient influence-function fluctuation; deployment remains a frozen forward pass. Along the path $T_{\lambda,P}=\theta(P)+\lambda P_n\psi_P$, we prove an endpoint transition: every fixed $\lambda<1$ retains label ambiguity of order $(1-\lambda)^2/n$, whereas full fluctuation makes the Gaussian label observable and reduces optimal finite-stratum causal label-prediction risk to order $n^{-2}$. A finite-pretraining bound combines label, network, episode-sampling, and optimization errors; its sampling defect controls fixed-mechanism bias, mean squared error, variance, Gaussian approximation, and, with variance-head accuracy, studentized coverage. Complementary lower bounds separate local $n^{-1}$ ATE risk from the $\log N/M$ excess risk of generic finite-dictionary episode learning. Experiments trace the learned sampling response. Across 24 nonlinear continuous-covariate cells at trained context lengths, continuous-row FSP lowers checkpoint-mean macro RMSE by 7.0% versus S-learner and wins all 12 weak-overlap cells; validation-selected Summary FSP deploys $11.6\times$ faster per table in our warm one-thread benchmark. Under effect shift, matched Raw FSP lowers mean-checkpoint RMSE by 54.2% and teacher defect by 99.0% versus latent-effect supervision, and RMSE by 10.2% versus the released CausalPFN-S checkpoint. Known-effect semisynthesis tests coverage; two randomized-study evaluations show that lower RMSE can coexist with residual attenuation.

Point cloud generation has emerged as a crucial task for accurately capturing and reproducing the complexity of the physical world. However, existing generative approaches, predominantly relying on Transformers and Variational Autoencoders (VAEs), frequently ignore the continuous, non-grid topologies inherent to 3D spaces. Although the integration of graph-based structures has yielded significant benefits in related discriminative vision tasks, such geometric architectures remain noticeably absent from 3D generative modeling. To address this gap, we introduce EMERGE (Equivariant Multi-scale GNN for Resolution-agnostic point cloud GEneration), the first fully $SE(3)$-equivariant graph-based diffusion backbone explicitly designed to generate point clouds while preserving continuous spatial symmetries. Our framework bypasses the rigid resolution dependencies of standard generative pipelines, enabling zero-shot inference at multiple, arbitrary spatial resolutions. Extensive empirical evaluations demonstrate that EMERGE achieves State-of-the-Art generation quality across standard metrics, while the strong inherent geometric inductive biases enable significantly faster training convergence compared to existing baseline methods.

Explanations are central to causal reasoning, and cognitive science has long established that the human drive to explain is itself a mechanism for learning about causality. Despite this, learning from those abductive signals is largely ignored in artificial intelligence. While explainable AI (XAI) increasingly draws on causal models to generate explanations, the converse direction about what explanations can do for causality remains largely unexplored. To fill this gap, we propose xWhyL, a formal framework connecting causality and XAI by learning causal models from explanations. We develop a mathematical theory that translates explanations into a learning signal complementary to observational data, and demonstrate how it enables overcoming the limits of observational causal discovery. As explanations can be derived from incorrect beliefs and clash with data, a tension we call the Causal Tug-of-War, we prove conditions under which our framework rejects misspecified explanations rather than absorbing them. Our practical instantiation, Causal Interactive Learning (CIL), shows how expert explanations can efficiently support causal discovery and distinguish correct from incorrect explanations.

We construct the first type of non-Euclidean non-autoregressive neural quantum state (NQS) in the form of the hyperbolic Restricted Boltzmann Machine (HRBM), which is studied in the variational Monte-Carlo (VMC) setting of the Quantum Sherrington-Kirkpatrick (QSK) model whose ground state exhibits volume-law entanglement. Across a 512-fold increase in the Hilbert space dimension corresponding to a system size increase from $N=14$ to $N=24$, HRBM NQS robustly outperforms its Euclidean version, the RBM NQS, in terms of better ground state energy optimization as well as lower Renyi-2 $S_2$ and von Neumann $S_{vN}$ absolute entanglement entropy reconstruction errors. More importantly, for all tested QSK system sizes, HRBM NQS demonstrates a superior expressivity in faithfully reproducing the entire entanglement spectrum of the QSK model from the top eigenvalues down to the tail end across 15 orders of magnitude, while RBM NQS consistently overestimates the sub-dominant modes. This work furnishes a proof-of-concept demonstrating that hyperbolic non-autoregressive NQS ansatze, thanks to the exponential volume of the hyperbolic geometry underlying their constructions, might be more natural at representing volume-law quantum systems than conventional Euclidean NQS. Furthermore, an interesting byproduct of this work is the polynomial scaling result of RBM-type NQS ansatze in the QSK volume-law system as the Hilbert space dimension increases exponentially.

Human feedback can vary in cost and informativeness. Strong feedback can reveal severe errors but is costly, so cheaper quality ratings can help decide which items to annotate. We propose MICRO (Multi-Fidelity Impact Clustered Rollout), an active search framework that allocates a shared budget to these feedback types to maximise confirmed severe error discoveries. MICRO jointly models ratings and annotation losses conditional on item features to steer acquisition. It clusters acquisitions by their predicted impact on severity probabilities to select diverse candidates, then uses rollout to estimate their discovery value. Experiments on WMT20 English-German show that ratings improve both loss reconstruction and severity prediction. MICRO achieves the highest mean discovery count across four budget and rating cost settings, with similar performance to adapted MF-ENS in one and significant gains over all six comparison policies, including two rollout controls, in the other three $(p<.001)$.

Dynamic black-box optimization presents significant challenges for Bayesian Optimization (BO), as the objective function evolves over time, causing optimal locations to shift continuously. Existing dynamic BO (DBO) methods using standard acquisition functions such as Upper Confidence Bound (UCB) fail to explicitly account for temporal variations, leading to suboptimal sample allocation and poor tracking of moving optima. Here, we propose BOBA (Bayesian Optimization through Bayesian Active Inference), a novel acquisition function inspired by free energy principles from active inference that explicitly minimizes predictive uncertainty about future states in dynamic environments. BOBA extends traditional acquisition functions by incorporating a forward-looking uncertainty quantification that estimates uncertainty in function changes, enabling more informed exploration-exploitation trade-offs in non-stationary settings. We evaluate BOBA on synthetic dynamic benchmarks, comparing against state-of-the-art DBO methods. Our experiments demonstrate that BOBA significantly improves regret in query-restricted settings, while remaining competitive in time-limited settings. We further analyze variants of BOBA with different exploration strategies, showing how the exploration-exploitation balance can be tuned for different types of dynamic functions. This work contributes both a free energy-based acquisition function for DBO and insights into how active inference principles can enhance optimization in non-stationary environments, with implications for real-time applications requiring continuous adaptation.

Many learning problems combine a dominant regularity with systematic exceptions. Motivated by U-shaped learning in language acquisition, we study this interaction in controlled quasiregular regression problems where regular and exceptional solutions are explicitly known. Neural networks can partially acquire exceptions, subsequently regress toward the dominant regularity, and finally recover. This overregularization becomes substantially stronger when exceptions are rare, despite their early acquisition, but does not emerge equally across all regularities considered. Our results isolate a simple form of competition between regularities and exceptions during neural learning.

Equivariant convolutional neural networks are usually built from a group acting globally on the space of signals. This hypothesis is inappropriate for many bounded or stratified domains: an ambient rigid motion may be admissible only on part of the domain, and the boundary introduces geometric types that are invisible to a transitive group action. We develop a theory of groupoid-equivariant neural networks in which the symmetry datum consists of a groupoid, a selected pseudogroup of local bisections, a measure, and input and output representation bundles. For integral channels on the object space, we prove a bisection-equivariant kernel theorem: equivariance is equivalent to a transport constraint on the two-point kernel, and its solutions are classified by one joint-stabilizer intertwiner on each orbit of pairs. As a case study we apply the theory to bounded planar domains. The resulting architecture is implemented through offline nullspace bases and sparse gather–transform–scatter operations. A Poisson–Dirichlet kernel study is used separately to assess boundary-aware inductive bias; the exact inverse is shown to preserve the global symmetries of the rectangle but not general proper local bisections. The numerical results show that the proposed architectures provide significant advantages when symmetries cannot be globally implemented by group actions and provide an accuracy improvement of at least one order of magnitude with respect to the models tested.

Probabilistic time series foundation models (TSFMs) provide coordinate-wise predictive distributions, but these marginals do not determine a joint distribution over multivariate future trajectories. We study training-free coupling of frozen TSFM marginals into multivariate forecast sample paths. Our primary evaluation fixes the empirical marginal sample multiset at every channel–horizon coordinate across methods, isolating the effect of coupling alone. Historical temporal and channel relations substantially improve their corresponding dependence diagnostics. The same pattern persists when the fixed-marginal constraint is removed and paths are sampled directly, and remains present under native multivariate backbone inference. These results support treating dependence reconstruction as a distinct post-processing problem for probabilistic TSFMs.

Saliency maps are widely used to explain deep learning predictions in medical imaging, yet visually plausible explanations do not necessarily reflect a model's true decision process and may therefore mislead clinicians. We investigate this problem using a Vision Transformer-based breast MRI classifier trained on the ODELIA Breast MRI Challenge dataset and evaluate multiple saliency methods, including Last-layer Attention, Attention Rollout, Grad-SAM, Gradient Attention Rollout, GMAR, Grad-CAM, and HiResCAM. Our study highlights two often-overlooked challenges in perturbation-based faithfulness evaluation. First, method rankings depend strongly on the perturbation strategy, varying across intensity-based perturbations and transformer-based attention masking. Second, benchmarking saliency methods requires distinguishing between class-specific and class-agnostic explanations. To enable fair comparisons, we introduce non-class-specific variants of gradient-based methods and evaluate both settings separately. Across protocols, Grad-CAM and Gradient Attention Rollout consistently emerged as the strongest class-specific methods, although their relative ranking depended on the evaluation design. These findings expose important limitations of current saliency-based explainability approaches and highlight the need for more robust and standardized evaluation frameworks for trustworthy clinical AI systems.

Transformer architectures exhibit cross-layer redundancies, yet post-training compression pipelines typically optimize layers in isolation or rely on heuristic grouping strategies that disregard layer-specific activation geometries. We introduce a principled, training-free framework that sequentially optimizes cross-layer weight pairings and shared-dictionary factorizations. Rather than forcing weights of adjacent layers to share a basis or heuristically merging activation statistics, our approach identifies structurally compatible projections and learns a shared representation that better preserves each layer's distinct calibration geometry. Coupled with structured sparsity, this yields highly efficient weight decompositions without sacrificing functional fidelity. Across diverse architectures, scales, and modalities, our method achieves state-of-the-art results, consistently outperforming independent structured weight decompositions and alternative pairwise weight factorizations, which operate under heuristic grouping strategies. By replacing heuristic engineering strategies with a convergent, optimization-driven pipeline, we establish a theoretically grounded foundation for scalable, transformer compression across different modalities.

Neural network verification has become a key tool for providing formal guarantees on the behaviour of neural networks. However, many verification problems remain computationally intractable in the worst case: even for common adversarial robustness specifications, verification is NP-complete. Here, we explore the application of solver-level warmstarting for neural network verification to exploit information from previous solutions. We study the effect on running time as several properties are modified, including perturbation radii, input data and the networks themselves, using a pipeline that is generalisable and potentially adaptable to state-of-the-art verifiers. Our results show that warmstarting can significantly reduce verification time in most cases. Moreover, warmstarting enables the successful verification of instances that could not be solved from scratch within the given time limit.

Quantum circuit optimization replaces a circuit with an equivalent one of fewer gates and lower depth, reducing execution cost and error rate. We ask whether a generative model can learn this transformation directly from examples, rather than selecting from a fixed rewrite library or rigid algebraic routines. We present Bridge of $\Psi$'s (BOPS), a generative model based on Schrödinger bridges, using a custom denoiser architecture, that learns a transformation from a source circuit into an equivalent optimized circuit. We train it on data constructed to be hard for existing optimizers, by applying rewrite rules backwards so that each input has a known lower-cost target. On held-out 8 qubits $\times$ 64 depth Clifford+$T$ circuits, BOPS reduces gate count by $2.46\times$ and depth by $2.45\times$ in geometric mean, outperforming all nine baseline optimizers. This constitutes the first generative model bridging quantum circuits and frontier machine learning methods, opening up the quantum compilation stack to learned optimization along multiple axes.