Recent approaches for vision-language models (VLMs) have shown remarkable success in achieving fast downstream adaptation. When applied to real-world downstream tasks, VLMs inevitably encounter both the in-distribution (ID) data and out-of-distribution (OOD) data. The OOD datasets often include both covariate shifts (e.g., known classes with changes in image styles) and semantic shifts (e.g., test-time unseen classes). This highlights the importance of improving VLMs' generalization ability to covariate-shifted OOD data, while effectively detecting open-set semantic-shifted OOD classes. In this paper, inspired by the substantial energy change observed in closed-set data when re-aligning vision-language modalities (specifically by directly reducing the maximum cosine similarity to a low value), we introduce a novel OOD score, named ΔEnergy. ΔEnergy significantly outperforms the vanilla energy-based OOD score and provides a more reliable approach for OOD detection. Furthermore, ΔEnergy can simultaneously improve OOD generalization under covariate shifts, which is achieved by lower-bound maximization for ΔEnergy (termed EBM). EBM is theoretically proven to not only enhance OOD detection but also yields a domain-consistent Hessian, which serves as a strong indicator for OOD generalization. Based on this finding, we developed a unified fine-tuning framework that allows for improving VLMs' robustness in both OOD generalization and OOD detection. Extensive experiments on challenging OOD detection and generalization benchmarks demonstrate the superiority of our method, outperforming recent approaches by 10% to 25% in AUROC.

Reasoning distillation has emerged as an efficient and powerful paradigm for enhancing the reasoning capabilities of large language models. However, reasoning distillation may inadvertently cause benchmark contamination, where evaluation data included in distillation datasets can inflate performance metrics of distilled models. In this work, we formally define the task of distillation data detection, which is uniquely challenging due to the partial availability of distillation data. Then, we propose a novel and effective method T oken Probability Deviation (TBD), which leverages the probability patterns of the generated output tokens. Our method is motivated by the analysis that distilled models tend to generate near-deterministic tokens for seen questions, while producing more low-probability tokens for unseen questions. Our key idea behind TBD is to quantify how far the generated tokens' probabilities deviate from a high reference probability. In effect, our method achieves competitive detection performance by producing lower scores for seen questions than for unseen questions. Extensive experiments demonstrate the effectiveness of our method, achieving an AUC of 0.918 and a TPR@1% FPR of 0.470 on the S1 dataset. Large Reasoning Models (LRMs) have shown impressive performance on complex tasks like mathematical reasoning and coding problems (Jaech et al., 2024; Guo et al., 2025; Y ang et al., 2025; xAI, 2025). By articulating intermediate steps via Chain-of-Thought (CoT), LRMs dynamically allocate extra compute to challenging problems. However, such reasoning capabilities are typically limited to LRMs exceeding 100 billion parameters, hindering practical deployment in resource-constrained settings (Wei et al., 2022). To address this, recent studies have explored reasoning distillation, transferring reasoning abilities from LRMs to Small Language Models (SLMs) by simulating reasoning traces (Chen et al., 2025; Y e et al., 2025; Muennighoff et al., 2025b; Liu et al., 2025). This paradigm has been widely applied in cutting-edge models, such as DeepSeek R1 series (Guo et al., 2025), Sky-T1-32B-preview (Team, 2025), and Bespoke-32B (Labs, 2025). In reasoning distillation, current methods generate reasoning trajectories and answers from LRMs for domain-specific questions, using these to supervise SLM training (Wu et al., 2025b; Li et al., 2025).

We introduce a novel high-frequency daily panel dataset of both markets and news-based indicators -- including Geopolitical Risk, Economic Policy Uncertainty, Trade Policy Uncertainty, and Political Sentiment -- for 42 countries across both emerging and developed markets. Using this dataset, we study how sentiment dynamics shape sovereign risk, measured by Credit Default Swap (CDS) spreads, and evaluate their forecasting value relative to traditional drivers such as global monetary policy and market volatility. Our horse-race analysis of forecasting models demonstrates that incorporating news-based indicators significantly enhances predictive accuracy and enriches the analysis, with non-linear machine learning methods -- particularly Random Forests -- delivering the largest gains. Our analysis reveals that while global financial variables remain the dominant drivers of sovereign risk, geopolitical risk and economic policy uncertainty also play a meaningful role. Crucially, their effects are amplified through non-linear interactions with global financial conditions. Finally, we document pronounced regional heterogeneity, as certain asset classes and emerging markets exhibit heightened sensitivity to shocks in policy rates, global financial volatility, and geopolitical risk.

Reaction mechanism search tools have demonstrated the ability to provide insights into likely products and rate-limiting steps of reacting systems. However, reactions involving several concerted bond changes - as can be found in many key steps of natural product synthesis - can complicate the search process. To mitigate these complications, we present a mechanism search strategy particularly suited to help expedite exploration of an exemplary family of such complex reactions, cyclizations. We provide a cost-effective strategy for identifying relevant elementary reaction steps by combining graph-based enumeration schemes and machine learning techniques for intermediate filtering. Key to this approach is our use of a neural network potential (NNP), AIMNet2-rxn, for computational evaluation of each candidate reaction pathway. In this article, we evaluate the NNP's ability to estimate activation energies, demonstrate the correct anticipation of stereoselectivity, and recapitulate complex enabling steps in natural product synthesis.

Graph Neural Networks have achieved impressive results across diverse network modeling tasks, but accurately estimating uncertainty on graphs remains difficult, especially under distributional shifts. Unlike traditional uncertainty estimation, graph-based uncertainty must account for randomness arising from both the graph's structure and its label distribution, which adds complexity. In this paper, making an analogy between the evolution of a stochastic partial differential equation (SPDE) driven by Matern Gaussian Process and message passing using GNN layers, we present a principled way to design a novel message passing scheme that incorporates spatial-temporal noises motivated by the Gaussian Process approach to SPDE. Our method simultaneously captures uncertainty across space and time and allows explicit control over the covariance kernel smoothness, thereby enhancing uncertainty estimates on graphs with both low and high label informativeness. Our extensive experiments on Out-of-Distribution (OOD) detection on graph datasets with varying label informativeness demonstrate the soundness and superiority of our model to existing approaches.

The [CLS] token in BERT is commonly used as a fixed-length representation for classification tasks, yet prior work has shown that both other tokens and intermediate layers encode valuable contextual information. In this work, we study lightweight extensions to BERT that refine the [CLS] representation by aggregating information across layers and tokens. Specifically, we explore three modifications: (i) max-pooling the [CLS] token across multiple layers, (ii) enabling the [CLS] token to attend over the entire final layer using an additional multi-head attention (MHA) layer, and (iii) combining max-pooling across the full sequence with MHA. Our approach, called MaxPoolBERT, enhances BERT's classification accuracy (especially on low-resource tasks) without requiring new pre-training or significantly increasing model size. Experiments on the GLUE benchmark show that MaxPoolBERT consistently achieves a better performance than the standard BERT base model on low resource tasks of the GLUE benchmark.

Robustness in AI systems refers to their ability to maintain reliable and accurate performance under various conditions, including out-of-distribution (OOD) samples, adversarial attacks, and environmental changes. This is crucial in safety-critical systems, such as autonomous vehicles, transportation, or healthcare, where malfunctions could have severe consequences. This paper proposes an approach to improve OOD detection without the need of labeled data, thereby increasing the AI systems' robustness. The proposed approach leverages the principles of self-supervised learning, allowing the model to learn useful representations from unlabeled data. Combined with graph-theoretical techniques, this enables the more efficient identification and categorization of OOD samples. Compared to existing state-of-the-art methods, this approach achieved an Area Under the Receiver Operating Characteristic Curve (AUROC) = 0.99.

Over the last decade, machine learning has been extensively applied to identify malicious Android applications. However, such approaches remain vulnerable against adversarial examples, i.e., examples that are subtly manipulated to fool a machine learning model into making incorrect predictions. This research presents DeepTrust, a novel metaheuristic that arranges flexible classifiers, like deep neural networks, into an ordered sequence where the final decision is made by a single internal model based on conditions activated in cascade. In the Robust Android Malware Detection competition at the 2025 IEEE Conference SaTML, DeepTrust secured the first place and achieved state-of-the-art results, outperforming the next-best competitor by up to 266% under feature-space evasion attacks. This is accomplished while maintaining the highest detection rate on non-adversarial malware and a false positive rate below 1%. The method's efficacy stems from maximizing the divergence of the learned representations among the internal models. By using classifiers inducing fundamentally dissimilar embeddings of the data, the decision space becomes unpredictable for an attacker. This frustrates the iterative perturbation process inherent to evasion attacks, enhancing system robustness without compromising accuracy on clean examples.

Advanced large language models (LLMs) frequently reflect in reasoning chain-of-thoughts (CoTs), where they self-verify the correctness of current solutions and explore alternatives. However, given recent findings that LLMs detect limited errors in CoTs, how reflection contributes to empirical improvements remains unclear. To analyze this issue, in this paper, we present a minimalistic reasoning framework to support basic self-verifying reflection for small transformers without natural language, which ensures analytic clarity and reduces the cost of comprehensive experiments. Theoretically, we prove that self-verifying reflection guarantees improvements if verification errors are properly bounded. Experimentally, we show that tiny transformers, with only a few million parameters, benefit from self-verification in both training and reflective execution, reaching remarkable LLM-level performance in integer multiplication and Sudoku. Similar to LLM results, we find that reinforcement learning (RL) improves in-distribution performance and incentivizes frequent reflection for tiny transformers, yet RL mainly optimizes shallow statistical patterns without faithfully reducing verification errors. In conclusion, integrating generative transformers with discriminative verification inherently facilitates CoT reasoning, regardless of scaling and natural language.

Federated learning (FL) is a privacy-preserving machine learning technique that facilitates collaboration among participants across demographics. FL enables model sharing, while restricting the movement of data. Since FL provides participants with independence over their training data, it becomes susceptible to poisoning attacks. Such collaboration also propagates bias among the participants, even unintentionally, due to different data distribution or historical bias present in the data. This paper proposes an intentional fairness attack, where a client maliciously sends a biased model, by increasing the fairness loss while training, even considering homogeneous data distribution. The fairness loss is calculated by solving an optimization problem for fairness metrics such as demographic parity and equalized odds. The attack is insidious and hard to detect, as it maintains global accuracy even after increasing the bias. We evaluate our attack against the state-of-the-art Byzantine-robust and fairness-aware aggregation schemes over different datasets, in various settings. The empirical results demonstrate the attack efficacy by increasing the bias up to 90\%, even in the presence of a single malicious client in the FL system.