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01.
arXiv (quant-ph) 2026-06-19

Sparse Configuration Interaction for the Electronic Schrödinger Equation Revisited: Complete Basis Set Limit Complexity and Quantum-Encoding Impact

arXiv:2606.20385v1 Announce Type: new Abstract: In this article we revisit regularity results for eigenfunctions in the discrete spectrum of the electronic Schrödinger equation and study their consequences for approximation complexity. In particular, for the convergence to the complete basis set limit, it can be shown that the curse of dimensionality in the leading algebraic exponent can be mitigated. That is, for general sparse grid constructions, the main term of the convergence rate with respect to the number of degrees of freedom is independent of the number of electrons. These insights indicate potential benefits for classical numerical solvers of the electronic Schrödinger equation and also for quantum-computing approaches through new qubit-efficient wavefunction encodings.

02.
arXiv (math.PR) 2026-06-24

Negative index, matchings, and nonnegative eigenvalues of tridiagonal stochastic matrices

arXiv:2606.21122v2 Announce Type: replace Abstract: We study negative eigenvalues of $n\times n$ stochastic matrices whose off-diagonal support is constrained by a sparse graph. The main tool is a matching-based inertia principle: if $G$ is bipartite with matching number $\mu(G)$, $S$ is a real symmetric matrix supported on $G$ with nonnegative diagonal entries and whose negative index (i.e. number of negative eigenvalues counted with their multiplicities) is denoted by $\nu_{-}(S) $, then \[ \nu_{-}(S)\leq \mu(G). \] In particular, every $n\times n$ nonnegative tridiagonal stochastic matrix $P$ satisfies $ \nu_{-}(P)\leq \left\lfloor \frac{n}{2}\right\rfloor. $ Consequently, after ordering the eigenvalues of $P$ in the decreasing order, we have $ \lambda_{\lceil n/2\rceil}(P)\geq0, \ and hence \ \lambda_2(P)\geq0, \mbox{ for } n\geq3. $ This gives an all-dimensional strengthening of the previously known $4\times4$ tridiagonal stochastic result. Next, we show that this tridiagonal bound is sharp in every dimension in both reducible and irreducible cases. Finally, we explore some possible extension and raise some open questions.

03.
arXiv (CS.AI) 2026-06-11

DataEvolver: Automatic Data Preparation for Large Language Models through Multi-Level Self-Evolving

arXiv:2606.07001v2 Announce Type: replace-cross Abstract: High-quality training data is essential to large language models (LLMs) and typically requires extensive and costly manual curation. Existing automatic data preparation methods rely on predefined pipelines or customized human instructions, which limits their adaptability to diverse data distributions and lacks principled guidance from high-quality examples. In this paper, we introduce DataEvolver, the first self-evolving data preparation system that automatically constructs pipelines to transform raw data into high-quality data. DataEvolver employs a multi-level mechanism to ensure both pipeline executability and effectiveness. At the operator level, it incrementally expands the operator set to construct a logical plan while resolving dependency conflicts. At the pipeline level, it instantiates logical plans into executable code and iteratively refines pipeline orchestration through a feedback loop that reduces the distribution gap between prepared data and high-quality examples. Experiments on seven benchmarks show that DataEvolver substantially improves data quality and achieves an average 10\% gain in downstream LLM performance compared with training on original data, highlighting new opportunities for the iterative co-evolution of LLMs and data.

04.
arXiv (CS.AI) 2026-06-16

Unassigned Agents in Compilation-based Multi-agent Path Finding

arXiv:2606.15797v1 Announce Type: new Abstract: Compilation-based techniques represent an important stream of solvers for multi-agent path finding (MAPF) due to their modularity and adaptability for non-standard variants of the problem. While in the standard MAPF the task is to navigate all agents from their initial positions to given individual goal positions without any collision, variants where a different requirement for agents is used are also relevant. Such a variant is MAPF with unassigned agents (UA-MAPF) where some agents have the same setting as in the standard MAPF with initial positions and goals while the remaining agents have the initial position but have no goal - unassigned agents. Despite unassigned agent do not need to reach any goal position they have to be moved out of the way of the standard agents if needed which represent a specific challenge. We show in this paper that UA-MAPF can be expressed in recent compilation-based techniques for MAPF based on formulating the problem as Boolean satisfiability, namely we adapt SMT-CBS and NRF-SAT, the recent solvers based on counterexample guided abstraction refinement and non-refined abstractions.

05.
arXiv (CS.AI) 2026-06-16

Beyond Rebalancing: Benchmarking Binary Classifiers Under Class Imbalance Without Rebalancing Techniques

arXiv:2509.07605v2 Announce Type: replace-cross Abstract: Class imbalance poses a significant challenge to supervised classification, particularly in critical domains like medical diagnostics and anomaly detection where minority class instances are rare. While numerous studies have explored rebalancing techniques to address this issue, less attention has been given to evaluating the performance of binary classifiers under imbalance when no such techniques are applied. Therefore, the goal of this study is to assess the performance of binary classifiers "as-is", without performing any explicit rebalancing. Specifically, we systematically evaluate the robustness of a diverse set of binary classifiers across both real-world and synthetic datasets, under progressively reduced minority class sizes, using one-shot and few-shot scenarios as baselines. Our approach also explores varying data complexities through synthetic decision boundary generation to simulate real-world conditions. In addition to standard classifiers, we include experiments using undersampling, oversampling strategies, and one-class classification (OCC) methods to examine their behavior under severe imbalance. The results confirm that classification becomes more difficult as data complexity increases and the minority class size decreases. While traditional classifiers deteriorate under extreme imbalance, advanced models like TabPFN and boosting-based ensembles retain relatively higher performance and better generalization compared to traditional classifiers. Visual interpretability and evaluation metrics further validate these findings. Our work offers valuable guidance on model selection for imbalanced learning, providing insights into classifier robustness without dependence on explicit rebalancing techniques.

06.
medRxiv (Medicine) 2026-06-15

Multidimensional nutritional assessment in Crohns disease: cross-sectional comparison of active disease and remission

Malnutrition is common in Crohns disease (CD), and its assessment requires multiple tools. Comprehensive evaluation of nutritional status in a population with CD, predominantly characterized by metabolic phenotype, was inadequately reported. This study evaluated the nutritional status of CD patients using anthropometric, clinical, and biochemical measures and compared patients with active disease with those in remission. This cross-sectional study included 127 adults with CD: 63 with active disease and 64 in remission. Disease activity was classified using the Crohns Disease Activity Index, the Simple Endoscopic Score for Crohns Disease, and magnetic resonance enterography. Nutritional assessment included body mass index (BMI), mid-upper arm circumference, calf circumference, triceps skinfold thickness, mid-arm muscle circumference, Mini Nutritional Assessment-Short Form (MNA-SF), and biochemical markers including hemoglobin, serum iron, folate, vitamin B12, albumin, and zinc. Malnutrition was defined using the Global Leadership Initiative on Malnutrition criteria. Overall, 47.2% of participants were malnourished. Malnutrition was significantly more frequent in active disease than in remission (81.0% vs. 14.1%, P

07.
arXiv (CS.CV) 2026-06-16

Landmark-free Assessment of Lower-limb Alignment with Implicit Neural Shape Functions from Knee Radiographs

Radiographic assessment of lower-limb alignment (LLA) is important for predicting joint health and surgical outcomes in total knee arthroplasty. Traditional measurement methods are manual and time-consuming, while recent machine learning approaches typically rely on locating a fixed set of anatomical landmarks. This dependence limits flexibility and may require re-annotation when clinical definitions change. To address this, we propose an automated workflow using Implicit Neural Shape Functions (INSF). Rather than relying on explicit landmark coordinates, we encode the anatomy into a compact latent space and regress clinical alignment measurements directly from these latent codes. This architecture allows for rapid extendability to new tasks without altering the backbone representation. We trained our method on an internal dataset of 566 knee radiographs, each annotated with the outline of the femur and tibia. We evaluated it on both an internal test dataset of 50 patients and a separate external set of 402 preoperative cases from the MRKR dataset. Manual clinical measurements are available for these data, and the MRKR measurements will be made publicly accessible. Performance was comparable to state-of-the-art landmark-based methods and manual agreement, while offering a flexible shape representation that can be extended to additional measurement tasks.

08.
arXiv (CS.CL) 2026-06-11

Pass@K Policy Optimization: Solving Harder Reinforcement Learning Problems

Reinforcement Learning (RL) algorithms sample multiple n>1 solution attempts for each problem and reward them independently. This optimizes for pass@1 performance and prioritizes the strength of isolated samples at the expense of the diversity and collective utility of sets of samples. This under-utilizes the sampling capacity, limiting exploration and eventual improvement on harder examples. As a fix, we propose Pass-at-k Policy Optimization (PKPO), a transformation on the final rewards which leads to direct optimization of pass@k performance, thus optimizing for sets of samples that maximize reward when considered jointly. Our contribution is to derive novel low variance unbiased estimators for pass@k and its gradient, in both the binary and continuous reward settings. We show optimization with our estimators reduces to standard RL with rewards that have been jointly transformed by a stable and efficient transformation function. While previous efforts are restricted to k=n, ours is the first to enable robust optimization of pass@k for any arbitrary k

09.
medRxiv (Medicine) 2026-06-24

Five-Year Breast Cancer Risk Prediction From Screening Breast Ultrasound Using Deep Learning

Objective: To develop and evaluate a deep learning model for five-year breast cancer risk prediction from screening breast ultrasound (BUS) examinations. Methods: This retrospective study included 295,298 breast ultrasound examinations from 122,072 women imaged between 2012 and 2020. Patients were split into training, validation, and test sets; the test set included screening examinations only. BUS-Risk-Net aggregated image features using attention-based multiple instance learning and combined them with age and ultrasound-estimated breast density to predict 2- to 5-year risk. Performance was compared with the full Tyrer-Cuzick model in a matched case-control cohort and with a reduced Tyrer-Cuzick model in the held-out test set. Risk stratification was evaluated within BI-RADS density categories. Results: In the matched case-control cohort (n = 240 women), BUS-Risk-Net achieved a 5-year AUC of 0.632 (95% CI, 0.562-0.702), versus 0.514 for the full Tyrer-Cuzick model (95% CI, 0.440-0.588; p = 0.04). Among 19,548 examinations from 9,015 women eligible for 5-year evaluation in the test set, BUS-Risk-Net achieved an AUC of 0.679 (95% CI, 0.653-0.706), versus 0.594 for the reduced Tyrer-Cuzick model (95% CI, 0.564-0.623; P < .001). Observed 5-year cancer incidence increased across AI-defined risk tiers within each BI-RADS density category, ranging from 0.0% to 5.8% after AI stratification, compared with 2.1% to 3.6% across density categories alone. Discussion: Deep learning models applied to screening breast ultrasound could enable long-term breast cancer risk prediction and stratify risk beyond breast density alone. External and prospective validation is needed before clinical use.

10.
arXiv (quant-ph) 2026-06-24

Introduction to matrix-product states and tensor networks

arXiv:2606.24803v1 Announce Type: cross Abstract: These notes provide an introduction to tensor-network methods in quantum many-body physics, with an emphasis on matrix-product states (MPS). They develop the basic tensor-network language, including graphical notation, virtual indices, bond dimensions, gauge freedom, canonical forms, QR and singular-value decompositions, and the role of entanglement in controlling the efficiency of the representation. The main MPS algorithms are then introduced, including contractions, correlation functions, matrix-product operators, DMRG, and time-evolution methods. The notes also briefly discuss projected entangled-pair states (PEPS) as a higher-dimensional generalization of MPS, together with the basic ideas behind approximate PEPS contraction. Finally, tensor-network representations of mixed states, quantum channels, and Lindblad dynamics are presented, with applications to thermal states and open quantum systems. The presentation is accompanied by short Julia code examples based on ITensor, ITensorMPS, and TensorMixedStates. These notes were written for the 9th Les Houches Summer School on Computational Physics: Open Quantum Systems, held in June 2026.

11.
bioRxiv (Bioinfo) 2026-06-10

APOSM: Pairwise preference learning improves generative small-molecule design

Small-molecule lead refinement is constrained by the cost of synthesizing and assaying candidates, making the surrogate models that prioritize compounds for experimental testing central to the design process. The reliability of such surrogates is limited by the noise and sparsity of screening measurements. We show that training the surrogate on pairwise comparisons between candidate molecules, rather than on absolute predicted scores, yields a substantially more reliable signal for active candidate selection in this regime. We develop APOSM, an active-learning algorithm that combines a fragment-based generator, a pairwise message-passing graph neural network surrogate, and probabilistic ranking inside a batched acquisition loop. On the Practical Molecular Optimization benchmark and a GPCR ligand rediscovery task, APOSM improves target attainment and sampling efficiency over unguided fragment-based optimization, the Graph-GA genetic algorithm, and a pointwise-regression ablation, with the largest gains on tasks where absolute scores are hardest to calibrate.

12.
arXiv (CS.LG) 2026-06-24

An Agnostic Machine Learning Model of Photosynthetic Habitability

arXiv:2606.24458v1 Announce Type: cross Abstract: The search for exoplanet biosignatures is guided by whether planetary environments can sustain photosynthesis. As such, the Photosynthetic Habitable Zone (PHZ) was recently proposed, as the overlap between the canonical habitable zone and the orbital range where stellar irradiance is sufficient to drive photosynthesis. Existing PHZ estimates rely on empirical light-response curves from Earth phytoplankton, and thus include implicit Earth-centric biases. We introduce an agnostic PHZ derived from a generalized model of photosynthesis grounded in thermodynamics and redox chemistry, without reference to model organisms. The model is built on a generic photochemical reaction in which photon capture couples oxidation of a donor molecule to the reduction of CO2. The optical properties and CO2 reduction rate are optimized against irradiance spectra for exoplanets orbiting main-sequence stars, using a genetic algorithm that mimics evolution by natural selection. Our simulations predict that photosynthetic organisms compensate for reduced flux by evolving larger light-harvesting structures. As a result, photosynthetic viability declines only linearly with orbital distance, despite stellar flux falling off quadratically. As such, the agnostic PHZ expands well beyond previous Earth-based estimates. Earth-like (visible light) oxygenic photosynthesis is flux-limited at the outer habitable zone for cool M-dwarf stars; however, both anoxygenic photosynthesis and a hypothetical, NIR-driven oxygenic photosynthesis are viable across the entire habitable zone for M, K, and G stars. This implies that M-dwarf exoplanets could sustain robust oxygenic photosynthesis, though it would be different to that found on Earth, presenting reflectance biosignatures in the NIR band rather than the visible.

13.
arXiv (CS.CV) 2026-06-16

Planning with Unified Multimodal Models

With the powerful reasoning capabilities of large language models (LLMs) and vision-language models (VLMs), many recent works have explored using them for decision-making. However, most of these approaches rely solely on language-based reasoning, which limits their ability to reason and make informed decisions. Recently, a promising new direction has emerged with unified multimodal models (UMMs), which support both multimodal inputs and outputs. We believe such models have greater potential for decision-making by enabling reasoning through generated visual content. To this end, we propose Uni-Plan, a planning framework built on UMMs. Within this framework, a single model simultaneously serves as the policy, dynamics model, and value function. In addition, to avoid hallucinations in dynamics predictions, we present a novel approach self-discriminated filtering, where the generative model serves as a self-discriminator to filter out invalid dynamics predictions. Experiments on embodied decision-making tasks show that Uni-Plan substantially improves success rates compared to VLM-based methods, while also showing strong data scalability, requiring no expert demonstrations and achieving better performance under the same training-data size. This work lays a foundation for future research in reasoning and decision-making with UMMs.

14.
arXiv (CS.CV) 2026-06-16

A biological vision inspired framework for machine perception of abutting grating illusory contours

Higher levels of machine intelligence demand alignment with human perception and cognition. Deep neural networks (DNN) dominated machine intelligence have demonstrated exceptional performance across various real-world tasks. Nevertheless, recent evidence suggests that DNNs fail to perceive illusory contours like the abutting grating, a discrepancy that misaligns with human perception patterns. Departing from previous works, we propose a novel deep network called illusory contour perception network (ICPNet) inspired by the circuits of the visual cortex. In ICPNet, a multi-scale feature projection (MFP) module is designed to extract multi-scale representations. To boost the interaction between feedforward and feedback features, a feature interaction attention module (FIAM) is introduced. Moreover, drawing inspiration from the shape bias observed in human perception, an edge detection task conducted via the edge fusion module (EFM) injects shape constraints that guide the network to concentrate on the foreground. We assess our method on the existing AG-MNIST test set and the AG-Fashion-MNIST test sets constructed by this work. Comprehensive experimental results reveal that ICPNet is significantly more sensitive to abutting grating illusory contours than state-of-the-art models, with notable improvements in top-1 accuracy across various subsets. This work is expected to make a step towards human-level intelligence for DNN-based models.

15.
arXiv (quant-ph) 2026-06-11

Raw-Curve Quantum Fingerprints: A Mahalanobis Authentication Framework with Drift Early Warning and Adversarial Detection

arXiv:2606.11644v1 Announce Type: new Abstract: Quantum cloud platforms are poised to deliver powerful computing capabilities, but users have no direct means to verify which physical device executes their workload. This lack of transparency enables hardware substitution attacks, where a malicious adversary could redirect a job to a substituted or inferior processor. We present a general authentication framework that addresses this problem by constructing multi-dimensional quantum fingerprints from raw measurement data. Without any curve fitting, we directly concatenate the raw statistics of complementary experiments into a high-dimensional feature vector that preserves subtle device-specific information. A Mahalanobis nearest-neighbor classifier achieves 100\% benign authentication accuracy on three superconducting processors over a three-week chronological split. The classifier naturally yields an authentication confidence $C_{\mathrm{claimed}}$ which reveals device-specific safety margins and motivates per-device alert thresholds. We assess the framework's robustness under two distinct scenarios. Under additive isotropic Gaussian noise, $C_{\mathrm{claimed}}$ decays predictably at a rate explained by inverse covariance traces, enabling an early warning mechanism. Against white-box adversarial perturbations, the same confidence threshold detects $L_2$ targeted attacks with near-perfect success and reveals device-dependent empirical thresholds for $L_\infty$ attacks, while untargeted and sparse attacks are ineffective. The proposed framework thus unifies fingerprint extraction, drift-resilient authentication, proactive health monitoring, and adversarial defense, offering a practical step toward trustworthy quantum cloud computing.

16.
arXiv (CS.AI) 2026-06-16

Adaptive and Explicit safe: Triggering Latent Safety Awareness in Large Reasoning Models

arXiv:2606.16808v1 Announce Type: new Abstract: While Large Reasoning Models (LRMs) excel at complex tasks, they remain highly vulnerable to sophisticated jailbreaks and direct harmful queries. To address this vulnerability, prior works depend heavily on external manual data annotation for safety alignment. However, we observe that LRMs can inherently identify safety risks when being re-presented with original queries alongside their own reasoning trajectories – a capability we term Latent Safety Awareness. To leverage this safety awareness, we first employ Supervised Fine-Tuning (SFT) to explicitly induce safe tags to trigger safety analysis and guidance following the initial reasoning content for unsafe queries, while preserving standard responses for general queries to ensure adaptive triggering. Subsequently, we apply Direct Preference Optimization (DPO) to further enhance the correctness and stability of the safety analysis and guidance. Notably, responses required for both training stages are entirely generated by models being optimized. With (Safe Trigger) SFT and DPO, experimental results demonstrate significant safety enhancement. For example, the Attack Success Rate (ASR) of DeepSeek-R1-Distill-Llama-8B, on average, drops 24.65% and 36.72% on harmful and jailbreak benchmarks, respectively. Finally, our Safe Trigger method exerts almost no negative impact on general performance or user experience.

17.
arXiv (math.PR) 2026-06-25

Three non-Hermitian random matrix universality classes of complex edge statistics: Spacing ratios and distributions

arXiv:2603.28457v2 Announce Type: replace-cross Abstract: The conjectured three generic local bulk statistics amongst all non-Hermitian random matrix symmetry classes have recently been extended to three generic local edge statistics. We study analytically and numerically complex spacing ratios and nearest-neighbour (NN) spacing distributions that characterise such local statistics. We choose the three simplest representatives of these universality classes, given by the Gaussian ensembles of complex Ginibre, complex symmetric and complex self-dual matrices, denoted by class A, AI$^\dag$ and AII$^\dag$. In the first part, we analytically study the complex spacing ratio in class A, at finite matrix size $N$. Introducing a conditional point process, we simplify existing expressions and show why an uncontrolled approximation introduced earlier converges well in the large-$N$ limit in the bulk. When specifying to the elliptic Ginibre ensemble, we present a parameter-dependent $N=3$ surmise for the complex spacing ratio, interpolating to that of the Gaussian unitary ensemble (GUE), where such a surmise is very accurate. In the second numerical part, we compare complex spacing ratios, its moments, and NN spacing distributions for all three ensembles with that of uncorrelated points, the two-dimensional (2D) Poisson process, both in the bulk and at the edge. The varying degree of repulsion within these different edge universality classes can be well understood in terms of an effective 2D Coulomb gas description, at different values of inverse temperature $\beta$. We find indications that the complex spacing ratio does not fully unfold the local statistics at the edge. Finally we verify that for small argument, in all three symmetry classes the NN spacing distributions in the bulk and at the edge are consistent with the universal cubic repulsion.

18.
arXiv (CS.AI) 2026-06-19

See-and-Reach: Precise Vision-Language Navigation for UAVs within the Field of View

arXiv:2606.20045v1 Announce Type: cross Abstract: UAV Vision-Language Navigation (UAV-VLN) is typically formulated as a holistic search-and-reach problem, where long-range target discovery and final target approach are optimized and evaluated jointly. This formulation makes it difficult to assess a critical capability of aerial embodied agents, namely whether a UAV can accurately ground a visible target and translate vision-language evidence into precise 3D motion once the target enters its field of view. To address this limitation, we introduce UAV-VLN-FOV, a target-visible navigation task that isolates the see-and-reach stage and enables a more diagnostic evaluation of terminal reaching ability. We further propose 3DG-VLN, a vision-language waypoint prediction framework guided by dynamic 3D direction cues to enhance fine-grained visual grounding and spatial direction alignment for precise target reaching. Specifically, 3DG-VLN adaptively processes high-resolution front-view and downward-view observations to preserve fine-grained visual and geometric details for target grounding. It also updates the target-relative direction online during closed-loop navigation, allowing the agent to maintain spatial alignment with the target and reduce accumulated direction drift. To support this task, we construct a dedicated high-resolution benchmark which contains 2,717 trajectories with target-oriented high-level instructions, high-resolution front-view and downward-view egocentric observations, and continuous 3D waypoint annotations. Experiments show that 3DG-VLN outperforms competitive UAV-VLN baselines, achieving a 13.82\% improvement in success rate. Real-world trials further demonstrate the potential of 3DG-VLN for practical see-and-reach navigation. The source code and benchmark are available at https://github.com/xuefanfu/3DG-VLN.

19.
arXiv (CS.CV) 2026-06-12

Camera and LiDAR BEV Fusion for Cooperative 3D Object Detection on TUMTraf V2X

We describe a Camera and LiDAR fusion detector developed for the TUMTraf V2X cooperative 3D object detection track of the DriveX 2026 challenge. The detector fuses three roadside cameras with a fused infrastructure-plus-vehicle point cloud in a shared bird's-eye-view space and predicts boxes through a CenterPoint-style head with a generalized IoU regression loss and an IoU quality re-ranking head. Trained on the provided train and validation splits, the model reaches a 3D mAP of 0.85 on the public Codabench test split. While iterating on the system, we observed that 44 of the 50 test frames are also present in the released train (40) and validation (4) splits with their labels. We therefore conducted two additional studies to quantify how this overlap affects the final score: (1) a finetuning run that oversamples the 44 overlapping frames, reaching 0.89 mAP, and (2) a post-processing run that replaces predictions on those frames with the released ground truth, reaching 0.99 mAP (uploaded to our Codabench account for testing but not published on the leaderboard). All three configurations and their per-class results are reported.

20.
Nature (Science) 2026-06-22

Cancer cells adopt unprecedented strategies to produce a molecule that protects them from iron-dependent death

The finding that spermine molecules in cells bind to iron to prevent it unleashing ferroptosis, a type of cell death, opens up strategies for treating tissue damage and cancer. The finding that spermine molecules in cells bind to iron to prevent it unleashing ferroptosis, a type of cell death, opens up strategies for treating tissue damage and cancer.

21.
arXiv (CS.CL) 2026-06-25

Cliff Tokens: Identifying Single-Token Failure Triggers in LLM Mathematical Reasoning

Large language models (LLMs) reach high accuracy in mathematical reasoning, but individual traces on the same problem diverge; some arrive at the correct answer while others fail. Prior work analyzes failure at the step, chunk, or sentence level, or at tokens where failure has already occurred. Neither identifies the precise token that triggers the shift toward failure. We introduce the cliff token, a token where the token-wise potential drops significantly under an adaptive threshold that scales with the local token-wise potential, based on a one-sided two-proportion z-test. Across seven models and three mathematical reasoning benchmarks (GSM1K, MATH500, AIME 2025), cliff tokens act as failure triggers; deleting the first cliff token and resampling recovers pass@64 to 1.0, while keeping it limits recovery to between 0.71 and 1.00. We further introduce a cliff taxonomy of deterministic, uncertain, and sampled-off cliffs, defined by greedy choice and token entropy. Each type has distinct probabilistic characteristics, and the taxonomy generalizes across model scales. Finally, we validate the taxonomy via single-token preference optimization at cliff positions (Cliff-DPO). Trained on GSM8K, Cliff-DPO improves accuracy across benchmarks by up to +6.6. Optimizing at uncertain and sampled-off cliffs improves reasoning, while deterministic cliffs do not.

22.
arXiv (CS.LG) 2026-06-11

MemNovo: Look Back at the Spectrum for Balanced De Novo Peptide Sequencing from Mass Spectrometry

arXiv:2606.11868v1 Announce Type: new Abstract: De novo peptide sequencing from tandem mass spectrometry is pivotal in proteomics, enabling identification of novel peptides without reference databases. While recent Transformer-based encoder-decoder models have achieved remarkable performance, we uncover a critical pathology in their inference dynamics. Through comprehensive feature scaling experiments, we demonstrate that existing auto-regressive peptide decoders tend to over-rely on generated-sequence priors while progressively under-utilizing fine-grained physical evidence from the input mass spectrum. This phenomenon leads to suboptimal results, where generated peptide sequences are biologically plausible yet not faithful to the input spectrum. To rectify this, we propose MemNovo, a training-free and plug-and-play mechanism that re-balances peptide and spectral contributions at inference time. MemNovo alleviates the information bottleneck by establishing a persistent spectral memory bank and injecting retrieved features directly into the final decoding stage via an ultra-conservative residual connection. Theoretical analysis confirms that this mechanism restores the mutual information between the decoder state and the raw spectrum. Extensive experiments on the Nine Species benchmark with two representative baselines, Casanovo and InstaNovo, demonstrate that MemNovo consistently improves both amino acid precision and peptide precision, achieving up to 39.1% relative improvement in peptide precision for Casanovo and up to 3.9% for InstaNovo, with negligible computational overhead.

23.
arXiv (CS.LG) 2026-06-15

Learning the Context of Errors: Black-Box Online Adaptation of Time Series Foundation Models

arXiv:2606.14222v1 Announce Type: new Abstract: The rapid evolution of Time Series Foundation Models (TSFMs) has advanced zero-shot forecasting across diverse domains. Inspired by the current form of Large Language Models, future TSFMs may be offered as commercialized, closed-source API services. However, many existing online adaptation methods still rely on white-box access for parameter fine-tuning or gradient backpropagation. This paradigm mismatch raises a question: In black-box online adaptation for TSFMs, what should we learn? We answer this with an insight: the predictive errors of the base model are conditioned on both the input and output of the base model (i.e., the context of errors). To validate this insight, we propose ORCA (Online Residual Contextual Adaptation). We conduct extensive experiments across 5 state-of-the-art TSFMs and 8 datasets to demonstrate the effectiveness of our approach. Furthermore, through ablation studies, we quantitatively analyze the impact of different adapter learning hypotheses on the final adaptation performance in black-box online adaptation. Code available at https://github.com/Fifthky/ORCA.

24.
arXiv (CS.LG) 2026-06-24

Layer-wise Geometric Approximation Rates for Deep Networks

arXiv:2604.20219v2 Announce Type: replace Abstract: Depth is widely viewed as a central contributor to the success of deep neural networks, whereas standard neural network approximation theory typically provides guarantees only for the final output and leaves the role of intermediate layers largely unclear. We address this gap by developing a quantitative framework in which depth admits a precise scale-dependent interpretation. Specifically, we design a single shared mixed-activation architecture of fixed width $2dN+d+2$ and any prescribed finite depth such that each intermediate readout $\Phi_\ell$ is itself an approximant to the target function $f$. For $f\in L^p([0,1]^d)$ with $p\in [1,\infty)$, the approximation error of $\Phi_\ell$ is controlled by $(2d+1)$ times the $L^p$ modulus of continuity at the geometric scale $N^{-\ell}$ for all $\ell$. The estimate reduces to the geometric rate $(2d+1)N^{-\ell}$ if $f$ is $1$-Lipschitz. Our network design is inspired by multigrade deep learning, where depth serves as a progressive refinement mechanism. For every prescribed terminal depth, the construction yields a finite nested family of prefix readouts whose earlier correction terms remain embedded in later readouts. Thus the approximation may be truncated within the prescribed depth range once the desired certified accuracy is reached.

25.
arXiv (CS.CV) 2026-06-12

ECA: Efficient Continual Alignment for Open-Ended Image-to-Text Generation

Incremental Learning (IL) for Open-ended Image-to-Text Generation (OpenITG) enables models to continuously generate accurate, contextually relevant text for new images while preserving previously acquired knowledge. Unlike prior studies, this paper addresses a more practical scenario in which the predominant category of visual data shifts over time as environments evolve. In this context, we introduce a new notion of continual alignment, which incrementally adapts the alignment module within pre-trained VLMs to preserve high-quality cross-modal representations. Based on this idea, we propose Efficient Continual Alignment (ECA), a novel exemplar-free IL approach for OpenITG. The key challenge is enabling the model to acquire new, task-specific features while minimizing interference with the established alignment without accessing raw data from previous tasks. To address this, ECA employs three core mechanisms: a Mixture of Query (MoQ) module that adapts task-specific query tokens, a Fisher Dynamic Expansion (FeDEx) that dynamically expands model structure based on a Fisher Information Matrix (FIM)-based metric, and an embedding dictionary with Dictionary Replay (DR) to retain past knowledge. To evaluate ECA's performance, we construct four new IL OpenITG benchmarks that better reflect real-world scenarios. Experimental results demonstrate that ECA significantly mitigates catastrophic forgetting and improves IL performance compared to baseline methods. Code and benchmarks are available at https://github.com/Snowball0823/ECA.