Zero-shot out-of-vocabulary detection (ZS-OOVD) aims to accurately recognize objects of in-vocabulary (IV) categories provided at zero-shot inference, while simultaneously rejecting undefined ones (out-of-vocabulary, OOV) that lack corresponding category prompts. However, previous methods are prone to overfitting the IV classes, leading to the OOV or undefined classes being misclassified as IV ones with a high confidence score. To address this issue, this paper proposes a zero-shot OOV detector (OOVDet), a novel framework that effectively detects predefined classes while reliably rejecting undefined ones in zero-shot scenes. Specifically, due to the model’s lack of prior knowledge about the distribution of OOV data, we synthesize region-level OOV prompts by sampling from the low-likelihood regions of the class-conditional Gaussian distributions in the hidden space, motivated by the assumption that unknown semantics are more likely to emerge in low-density areas of the latent space. For OOV images, we further propose a Dirichlet-based gradient attribution mechanism to mine pseudo-OOV image samples, where the attribution gradients are interpreted as Dirichlet evidence to estimate prediction uncertainty, and samples with high uncertainty are selected as pseudo-OOV images. Building on these synthesized OOV prompts and pseudo-OOV images, we construct the OOV decision boundary through a low-density prior constraint, which regularizes the optimization of OOV classes using Gaussian kernel density estimation in accordance with the above assumption. Experimental results show that our method significantly improves the OOV detection performance in zero-shot scenes. Code will be available.
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Applications · Chemistry, Physics, and Earth Sciences
Neural-network wave functions in Variational Monte Carlo (VMC) have achieved great success in accurately representing both ground and excited states. However, achieving sufficient numerical accuracy of state overlaps requires growing the number of Monte Carlo samples, and consequently computational cost, with the number of states. We present a nearly constant sample size approach named Multi-State Importance Sampling (MSIS), which leverages all states' samples to estimate any pairwise overlap. To efficiently evaluate all states for all samples, we introduce Excited Pfaffians. Inspired by Hartree-Fock, this architecture represents many states within a single neural network. Excited Pfaffians also serve as generalized wave functions, allowing a single model to represent multi-state potential energy surfaces. On the carbon dimer, we match the $\mathcal{O}(N_s^4)$-scaling natural excited states while training $>200\times$ faster and modeling 50% more states. Our favorable scaling enables us to be the first to use neural networks to find all distinct energy levels of the Beryllium atom. Finally, we demonstrate that a single wave function can represent excited states across various molecules.
General Machine Learning · Causality
To distinguish Markov equivalent graphs in causal discovery, it is necessary to restrict the structural causal model. A flexible class of models that is general and identifiable in most cases are location-scale noise models (LSNMs), in which the effect $Y$ is modeled based on its causes $\boldsymbol{X}$ as $Y = f(\boldsymbol{X}) + g(\boldsymbol{X})N$. To facilitate the estimation of these models, a prominent assumption is that the noise variable $N$ follows a symmetric distribution. We show that when $N$ is a skewed random variable, which is likely in real-world domains, such approaches drop in performance. To address this limitation, we propose SkewD, a likelihood-based method for causal discovery under LSNMs with skewed noise, employing a combination of heuristic search and expectation conditional maximization for parameter estimation. SkewD extends the usual normal distribution framework to the skew-normal setting, enabling reliable inference under symmetric and skewed noise. While our main focus is on bivariate cause-effect inference, we further showcase how SkewD can be extended to the multivariate setting.
General Machine Learning · Evaluation
Most evaluations of External Memory Module assume a static setting: memory is built offline and queried at a fixed state. In practice, memory is streaming: new facts arrive continuously, insertions interleave with retrievals, and the memory state evolves while the model is serving queries. In this regime, accuracy and cost are governed by the full memory lifecycle, which encompasses the ingestion, maintenance, retrieval, and integration of information into generation. We present Neuromem, a scalable testbed that benchmarks External Memory Module under an interleaved insertion-and-retrieval protocol and decomposes its lifecycle into five dimensions including memory data structure, normalization strategy, consolidation policy, query formulation strategy, and context integration mechanism. Using three representative datasets LoCoMo, LONGMEMEVAL, and MemAgentBench, Neuromem evaluates interchangeable variants within a shared serving stack, reporting token-level F1 and insertion/retrieval latency.Overall, we observe that performance typically degrades as memory grows across rounds, and time-related queries remain the most challenging category. The memory data structure largely determines the attainable quality frontier, while aggressive compression and generative integration mechanisms mostly shift cost between insertion and retrieval with limited accuracy gain.
Social Aspects · Security
We propose dgMARK, a decoding-guided watermarking method for discrete diffusion language models (dLLMs). Unlike autoregressive models, dLLMs can generate tokens in arbitrary order. While an ideal conditional predictor would be invariant to this order, practical dLLMs exhibit strong sensitivity to the unmasking order, creating a new channel for watermarking. dgMARK steers the unmasking order toward positions whose high-reward candidate tokens satisfy a simple parity constraint induced by a binary hash, without explicitly reweighting the model’s learned probabilities. The method is plug-and-play with common decoding strategies (e.g., confidence, entropy, and margin-based ordering) and can be strengthened with a one-step lookahead variant. Watermarks are detected via elevated parity-matching statistics, and a sliding-window detector ensures robustness under post-editing operations including insertion, deletion, substitution, and paraphrasing.
Applications · Everything Else
As large language models (LLMs) improve in mathematical reasoning and formal understanding, a promising approach for automated theorem proving (ATP) is to enable LLMs construct proof sketches, which plan a high-level proof strategy and decompose complex theorems into independently provable subgoals. However, most existing proof sketches are immutable. As a result, any revision typically requires rebuilding the entire sketch, which discards already proved subgoals and bring additional cost. In this paper, we address this limitation by introducing EditableSketch, an editable proof-sketch structure that supports in-place edits for error correction and further subgoal decomposition while preserving previously proved subgoals. Building on EditableSketch, we introduce SketchRefine, a proof-generation framework for ATP by iteratively refining proof sketches through localized, incremental edits. Experiments show that our method not only reduces the cost of the proof process, but also achieves superior performance. For example, our method realizes 76.0% pass rate on FormalMath-Lite (+14.1\% vs. DeepSeek-Prover-V2-671B). Meanwhile, compared with Hilbert, our method significantly reduces token overhead while achieving comparable performance.
Social Aspects · Security
Unlearnable examples (UEs) aim to compromise model training by injecting imperceptible perturbations to clean samples. However, existing UE schemes exhibit limited robustness against advanced defenses due to their heuristic design or narrowly scoped domain perturbations. To address this, we propose \texttt{DUNE}, a \underline{\textbf{D}}ual-branch \underline{\textbf{UN}}learnable \underline{\textbf{E}}nsemble perturbation optimization approach. Specifically, \texttt{DUNE} separately optimizes perturbations in the spatial and color domains to establish the mapping between perturbations and shift-induced labels. This design extends the perturbation domain to increase noise intensity for improving robustness and drives the models to learn perturbation-oriented features with degraded generalization, thereby achieving unlearnability. To strengthen \texttt{DUNE}'s performance, we further propose an unlearnability-enhancing ensemble strategy that aggregates diverse pre-trained models during the dual-branch optimization. Extensive experiments on benchmark datasets CIFAR-10 and ImageNet verify that \texttt{DUNE}'s robustness outperforms 12 SOTA UE schemes under 7 mainstream defenses, yielding a lower average test accuracy of 14.95\% to 50.82\%.
Deep Learning · Large Language Models
Unsupervised Reinforcement Learning from Internal Feedback (RLIF) has emerged as a promising paradigm for eliciting the latent capabilities of Large Language Models (LLMs) without external supervision. However, current methods rely on heuristic intrinsic rewards, which often lack a well-defined theoretical optimization target and are prone to degenerative biases. In this work, we introduce PowerFlow, a principled framework that reformulates unsupervised fine-tuning as a distribution matching problem. By casting GFlowNet as an amortized variational sampler for unnormalized densities, we propose a length-aware Trajectory-Balance objective that explicitly neutralizes the structural length biases inherent in autoregressive generation. By targeting $\alpha$-power distributions, PowerFlow enables the directional elicitation of the dual nature of LLMs: sharpening the distribution ($\alpha > 1$) to intensify logical reasoning, or flattening it ($\alpha < 1$) to unlock expressive creativity. Extensive experiments demonstrate that PowerFlow consistently outperforms existing RLIF methods, matching or even exceeding supervised GRPO. Furthermore, by mitigating over-sharpening in aligned models, our approach achieves simultaneous gains in diversity and quality, shifting the Pareto frontier in creative tasks.
Social Aspects · Fairness
Post-hoc controllability of fair machine learning models, the ability to control the trade-off between fairness and accuracy after training, is valuable for practical deployment. Existing post-processing methods provide such post-hoc controllability but often suffer from significant accuracy degradation, whereas in-processing methods achieve efficient trade-offs but require computationally expensive retraining for each change in trade-off ratio. To achieve both post-hoc controllability and efficient trade-offs, we propose a novel fair classification algorithm that learns effective feature representations to improve the trade-off efficiency of post-processing fair classifiers, by a gradient-based optimization approach. Experimental results on real-world datasets demonstrate that our method achieves trade-off efficiency comparable to, or even surpassing, in-processing methods, without requiring any retraining.
Applications · Computer Vision
Adapting Detection Transformers to Incremental Object Detection (IOD) poses a systemic challenge, as set-based optimization is inherently destabilized by sequential learning. In this work, we identify Gradient Dilution as the root cause of performance degradation, wherein optimization signals required to preserve old knowledge are progressively weakened. This phenomenon manifests as a cascading erosion driven by three tightly coupled factors: {\textit{Signal Dispersion}}, where foreground gradients are overwhelmed by background noise; {\textit{Assignment Drift}}, where stochastic query–target matching induces inconsistent gradient trajectories; and {\textit{Support Attrition}}, where gradients from retained samples insufficiently cover the old-class feature space, weakening decision boundaries under interference from new classes. To counteract this, we propose FAS, a unified framework that \underline{F}ocuses, \underline{A}ligns, and \underline{S}ustains gradient flow throughout incremental learning. Specifically, we introduce prior-injected queries to focus discriminative signals by filtering background interference at the source. We further propose deterministic anchor distillation to align query–target assignments, bypassing unstable bipartite matching and enforcing semantic consistency across stages. Finally, we devise manifold-support replay to sustain distributional support of old classes, counteracting representational erosion induced by continual updates. Extensive experiments show that FAS restores robust optimization dynamics and outperforms state-of-the-art methods, achieving over 5.0 AP improvement in the challenging 40+10×4 incremental setting.
We study the population loss landscape of two-layer ReLU networks of the form $\sum_{k=1}^K \mathrm{ReLU}(w_k^\top x)$ in a realisable teacher–student setting with Gaussian covariates. We show that local minima admit an exact low-dimensional representation in terms of \emph{summary statistics}, yielding a sharp and interpretable characterisation of the landscape. We further establish a direct link with one-pass SGD: local minima correspond to attractive fixed points of the dynamics in summary statistics space. This perspective reveals a hierarchical structure of minima: they are typically isolated in the well-specified regime, but become connected by flat directions as network width increases. In this overparameterised regime, global minima become increasingly accessible, attracting the dynamics and reducing convergence to spurious solutions. Overall, our results reveal intrinsic limitations of common simplifying assumptions, which may miss essential features of the loss landscape even in minimal neural network models.
Deep Learning · Other Representation Learning
The smoothness of the transformer architecture has been extensively studied in the context of generalization, training stability, and adversarial robustness. However, its role in transfer learning remains poorly understood. In this paper, we analyze the ability of vision transformer components to adapt their outputs to changes in inputs, or, in other words, their *plasticity*. Defined as an average rate of change, it captures the sensitivity to input perturbation; in particular, a high plasticity implies low smoothness. We demonstrate through theoretical analysis and comprehensive experiments that this perspective provides principled guidance in choosing the components to prioritize during adaptation. A key takeaway for practitioners is that the high plasticity of the attention modules and feedforward layers consistently leads to better finetuning performance. Our findings depart from the prevailing assumption that smoothness is desirable, offering a novel perspective on the functional properties of transformers.
Deep Learning · Other Representation Learning
Recent studies have demonstrated the effectiveness of modularly integrating traditional machine learning methods, such as Support Vector Machines (SVMs), into neural networks for end-to-end optimization. However, current approaches mostly rely on static embedding, failing to leverage SVM's geometric properties for dynamic iterative optimization, thereby limiting their generalization potential. To address this, we propose a **Differentiable Deep Support Vector Machine (DDSVM)** framework that alternates over three modules: representation learning, boundary optimization, and geometry-aware feature refinement. This is achieved through an iterative pipeline of **boundary construction, feature pushing, loss backpropagation and representation update**. After constructing the SVM hyperplane, our method actively pushes feature points along the normal vector to maximize the geometric margin and backpropagates the separation loss into the network. Theoretically, we conduct an in-depth analysis of the underlying optimization principles, elucidating the fundamental mechanism through which the proposed architecture achieves superior performance. We demonstrate how the iterative synergy between geometric refinement and representation learning enhance the generalization, providing formal insights into its effectiveness. Experiments demonstrate significant performance over previous baselines.
Social Aspects · Security
Deep Neural Networks (DNNs) remain fundamentally vulnerable to backdoor attacks. Traditional data-free defenses largely operate under the paradigm of internal diagnosis methods like model repairing or input robustness, yet these approaches are often fragile under advanced attacks as they remain entangled with the victim model’s corrupted parameters. We propose a paradigm shift to data-free External Semantic Auditing, using universal Vision-Language Models (VLMs) as independent auditors to decouple defense from the compromised model. We introduce PRISM (Prototype Refinement & Inspection via Statistical Monitoring), which transforms generic VLMs into domain-adaptive gatekeepers purely via online test-time adaptation. PRISM bridges the domain gap through a Hybrid VLM Teacher that refines prototypes from the test stream and an Adaptive Router that calibrates thresholds via statistical monitoring. Evaluation across 17 datasets and 11 attack types confirms PRISM achieves state-of-the-art performance (suppressing Attack Success Rate to < 1% on CIFAR-10), proving that robust defense is achievable without touching the model weights or accessing a single training sample.
Applications · Neuroscience, Cognitive Science
Oscillatory neural signals such as electroencephalography (EEG) and local field potentials (LFPs) show phase relationships that coordinate communication across brain regions. Modern recordings capture hundreds of channels across many frequency bins, yet standard phase analyses are restricted to only a few variables. The Torus Graph (TG) model, an exponential-family distribution over phases whose univariate and pairwise potentials generalize von Mises distributions, infers principled structure among oscillations but models only static, undirected dependencies and is limited to $\sim 100$ variables because its score matching inference scales as $\mathcal{O}(d^{6})$. We introduce a stochastic score matching procedure that reduces the per-iteration cost to $\mathcal{O}(d^{2})$, enabling inference on datasets with thousands of variables. This scalable foundation supports analyses of 1,860 frequency-phase features from multi-electrode LFPs and enables two extensions previously inaccessible to TGs or classical circular statistics: (i) a TG-Hidden Markov Model capturing state-dependent phase-coupling changes (e.g., spindle-related states during sleep) and (ii) an autoregressive TG inferring directional interactions via transfer-entropy estimation. Applied to LFP recordings, these models reveal state-dependent phase-interaction patterns between wakefulness and NREM sleep. Together, they enable systematic, large-scale mapping of dynamic and directional phase relationships across brain and cognitive states.
Applications · Neuroscience, Cognitive Science
Predictive coding networks are neural models that perform inference through an iterative energy minimization process. While effective in shallow architectures, they suffer significant performance degradation beyond five to seven layers. In this work, we show that this degradation is caused by exponentially imbalanced errors between layers during weight updates, and the predictions from the previous layers not being effective in guiding updates in deeper layers. Furthermore, when training models with skip connections, the energy propagated by the residuals reaches higher layers faster than the one propagated by the main pathway, affecting test accuracy. We address the first issue by introducing a novel precision-weighted optimization of latent variables that balances error distributions during the relaxation phase, the second issue by proposing a novel weight update mechanism that reduces error accumulation in deeper layers, and the third one by using identity nodes that slow down the propagation of the energy in the residual connections. Empirically, our methods achieve performance comparable to backpropagation on deep models such as ResNet18, opening new possibilities for predictive coding in complex tasks.
Deep Learning · Everything Else
Tensor-valued prediction is fundamental to geometric deep learning, yet uncertainty quantification (UQ) for such outputs remains an open challenge. While E(3)-equivariant neural networks excel at point estimates, they lack rigorous confidence measures. We introduce a general framework for E(3)-equivariant UQ, modeling the full predictive distribution where both mean and covariance preserve rotational symmetry. Our approach decomposes the covariance into irreducible representations $\mathrm{Sym}^2(\rho_c) \cong 2\times(l=0) \oplus 2\times(l=2) \oplus 1\times(l=4)$. By mapping from the flat Lie algebra $\mathfrak{sym}(6)$ to the curved SPD manifold via matrix exponentiation, we strictly ensure positive-definite covariances while maintaining exact equivariance. Furthermore, we formulate a Log-Euclidean Equivariant Scoring Objective (LE-ESO)---a robust surrogate loss based on the Multivariate Laplace distribution---providing mathematical robustness to heavy-tailed errors and guaranteed stability. Extensive validation on ModelNet40 (inertia tensors) and large-scale materials science benchmarks (dielectric tensors) demonstrates that our method achieves competitive performance and provides physically consistent, symmetry-preserving uncertainty estimates with reliable OOD detection capabilities.
Self-evolving large language model (LLM) agents continually improve by accumulating and reusing past experience, yet it remains unclear whether they faithfully rely on that experience to guide their behavior. We present the first systematic investigation of \emph{experience faithfulness}—the causal dependence of an agent's decisions on the experience it is given—in self-evolving LLM agents. Using controlled causal interventions on both raw and condensed forms of experience, we comprehensively evaluate four representative frameworks across 10 LLM backbones and 9 environments. Our analysis uncovers a striking asymmetry: while agents consistently depend on raw experience, they often disregard or misinterpret condensed experience, even when it is the only experience provided. This gap persists across single- and multi-agent configurations and across backbone scales. We trace its underlying causes to three factors: the semantic limitations of condensed content, internal processing biases that suppress experience, and task regimes where pretrained priors already suffice. These findings challenge prevailing assumptions about self-evolving methods and underscore the need for more faithful and reliable approaches to experience integration.
Deep Learning · Large Language Models
Geometric properties of Transformer weights, particularly the unembedding matrix, have been widely useful in language model interpretability research. Yet, their utility for estimating downstream performance remains unclear. In this work, we systematically investigate the relationship between model performance and the unembedding matrix geometry, particularly its effective rank. Our experiments, involving a suite of 108 OLMo-style language models trained under controlled variation, reveal several key findings. While the best-performing models often exhibit a high effective rank, this trend is not universal across tasks and training setups. Contrary to prior work, we find that low effective rank does not cause late-stage performance degradation in small models, but instead co-occurs with it; we find adversarial cases where low-rank models do not exhibit saturation. Moreover, we show that effective rank is strongly influenced by pre-training hyperparameters, such as batch size and weight decay, which in-turn affect the model's performance. Lastly, extending our analysis to other geometric metrics and final-layer representation, we find that these metrics are largely aligned, but none can reliably predict downstream performance. Overall, our findings suggest that the model's geometry, as captured by existing metrics, primarily reflects training choices rather than performance.
Deep Learning · Large Language Models
Code repair is an important capability for language models (LMs): given a buggy program and unit tests, an LM must produce a fixed program that passes the tests. We aim to scale supervision for code repair by having an LM generate bug--fix tasks with unconstrained edits, using unit tests as the only verifier. We propose generator-fixer self-play, in which a single model is trained with reinforcement learning to alternate between generating bugs and fixing them. As the fixer improves, the generator adapts to produce increasingly difficult bugs, yielding an automatic curriculum. However, because unit tests certify correctness but not realism, we find that the generator can drift from bugs encountered in practice, improving repair on self-generated bugs while degrading on real-world bugs. We propose Anchored Self Play (ASP), which anchors self-play with a small reference set by (i) adding a code-embedding similarity reward to guide generation and (ii) mixing reference bugs into fixer training to prevent drift. To reflect LM-assisted programming, where bugs come from humans, LMs, and human edits of LM code, we introduce BugSourceBench, a code repair benchmark spanning human-authored bugs, human-edited buggy LM code, and errors in LM-generated code. Across bug sources, ASP achieves the best fix rates, improving average fix rate by $+25$% (relative) / $+7.2$ pp (absolute) over standard self-play, with gains on both LM-error bugs ($+100$% relative / $+11$ pp absolute) and human-authored bugs ($+7.1$% relative / $+3.4$ pp absolute).