Recent advances in molecular foundation models have shown impressive performance in molecular property prediction and de novo molecular design, with promising applications in areas such as drug discovery and reaction prediction. Nevertheless, most existing approaches rely exclusively on SMILES representations and overlook both experimental spectra and 3D structural information-two indispensable sources for capturing molecular behavior in real-world scenarios. This limitation reduces their effectiveness in tasks where stereochemistry, spatial conformation, and experimental validation are critical. To overcome these challenges, we propose MolSpectLLM, a molecular foundation model pretrained on Qwen2.5-7B that unifies experimental spectroscopy with molecular 3D structure. By explicitly modeling molecular spectra, MolSpectLLM achieves state-of-the-art performance on spectrum-related tasks, with an average accuracy of 0.53 across NMR, IR, and MS benchmarks. MolSpectLLM also shows strong performance on the spectra analysis task, obtaining 15.5% sequence accuracy and 41.7% token accuracy on Spectra-to-SMILES, substantially outperforming large general-purpose LLMs. More importantly, MolSpectLLM not only achieves strong performance on molecular elucidation tasks, but also generates accurate 3D molecular structures directly from SMILES or spectral inputs, bridging spectral analysis, molecular elucidation, and molecular design. Code are available at \href{https://github.com/Eurekashen/MolSpectLLM}{https://github.com/Eurekashen/MolSpectLLM}.

Refusal on harmful prompts is a key safety behaviour in instruction-tuned large language models (LLMs), yet the internal causes of this behaviour remain poorly understood. We study two public instruction tuned models--Gemma-2-2B-IT and LLaMA-3.1-8B-IT using sparse autoencoders (SAEs) trained on residual-stream activations. Given a harmful prompt, we search the SAE latent space for feature sets whose ablation flips the model from refusal to compliance, demonstrating causal influence and creating a jailbreak. Our search proceeds in three stages: 1. Refusal Direction - Finding a refusal mediating direction and collecting SAE features close to that direction, followed by 2. Greedy Filtering - to prune this set to obtain a minimal set and finally 3. Interaction Discovery - a factorization-machine (FM) model that captures non-linear interactions among the remaining active features and the minimal set. This pipeline yields a broad set of jailbreak-critical features, offering insight into the mechanistic basis of refusal. Moreover, we also find evidence of redundant features which remain dormant unless earlier features are suppressed. Our findings highlight the potential for fine-grained auditing and targeted intervention in safety behaviours by manipulating the interpretable latent space.

Electroencephalography (EEG)-based Brain-Computer Interfaces (BCIs) have emerged as a transformative technology with applications spanning robotics, virtual reality, medicine, and rehabilitation. However, existing BCI frameworks face several limitations, including a lack of stage-wise flexibility essential for experimental research, steep learning curves for researchers without programming expertise, elevated costs due to reliance on proprietary software, and a lack of all-inclusive features leading to the use of multiple external tools affecting research outcomes. To address these challenges, we present PyNoetic, a modular BCI framework designed to cater to the diverse needs of BCI research. PyNoetic is one of the very few frameworks in Python that encompasses the entire BCI design pipeline, from stimulus presentation and data acquisition to channel selection, filtering, feature extraction, artifact removal, and finally simulation and visualization. Notably, PyNoetic introduces an intuitive and end-to-end GUI coupled with a unique pick-and-place configurable flowchart for no-code BCI design, making it accessible to researchers with minimal programming experience. For advanced users, it facilitates the seamless integration of custom functionalities and novel algorithms with minimal coding, ensuring adaptability at each design stage. PyNoetic also includes a rich array of analytical tools such as machine learning models, brain-connectivity indices, systematic testing functionalities via simulation, and evaluation methods of novel paradigms. PyNoetic's strengths lie in its versatility for both offline and real-time BCI development, which streamlines the design process, allowing researchers to focus on more intricate aspects of BCI development and thus accelerate their research endeavors.

Despite the remarkable progress of modern machine translation (MT) systems on general-domain texts, translating structured LaTeX-formatted documents remains a significant challenge. These documents typically interleave natural language with domain-specific syntax, such as mathematical equations, tables, figures, and cross-references, all of which must be accurately preserved to maintain semantic integrity and compilability. In this paper, we introduce LaTeXTrans, a collaborative multi-agent system designed to address this challenge. LaTeXTrans ensures format preservation, structural fidelity, and terminology consistency through six specialized agents: 1) a Parser that decomposes LaTeX into translation-friendly units via placeholder substitution and syntax filtering; 2) a Translator, Validator, Summarizer, and Terminology Extractor that work collaboratively to ensure context-aware, self-correcting, and terminology-consistent translations; 3) a Generator that reconstructs the translated content into well-structured LaTeX documents. Experimental results demonstrate that LaTeXTrans can outperform mainstream MT systems in both translation accuracy and structural fidelity, offering an effective and practical solution for translating LaTeX-formatted documents.The code of LaTeXTrans is available at https://github.com/NiuTrans/LaTeXTrans.

Trade-based manipulation (TBM) undermines the fairness and stability of financial markets drastically. Spoofing, one of the most covert and deceptive TBM strategies, exhibits complex anomaly patterns across multilevel prices, while often being simplified as a single-level manipulation. These patterns are usually concealed within the rich, hierarchical information of the Limit Order Book (LOB), which is challenging to leverage due to high dimensionality and noise. To address this, we propose a representation learning framework combining a cascaded LOB representation architecture with supervised contrastive learning. Extensive experiments demonstrate that our framework consistently improves detection performance across diverse models, with Transformer-based architectures achieving state-of-the-art results. In addition, we conduct systematic analyses and ablation studies to investigate multilevel manipulation and the contributions of key components for detection, offering broader insights into representation learning and anomaly detection for complex time series data.

Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) are two prominent post-training paradigms for refining the capabilities and aligning the behavior of Large Language Models (LLMs). Existing approaches that integrate SFT and RL often face the risk of disrupting established response patterns and inducing overfitting to expert data. To address this, we present a novel investigation into the unified view of SFT and RL through an off-policy versus on-policy lens. We propose CHORD, a framework for Controllable Harmonization of On- and Off-Policy Reinforcement Learning via Dynamic Weighting, which reframes SFT not as a separate stage but as a dynamically weighted auxiliary objective within the on-policy RL process. Based on an analysis of off-policy expert data's influence at both holistic and granular levels, we incorporate a dual-control mechanism in CHORD. Specifically, the framework first employs a global coefficient to holistically guide the transition from off-policy imitation to on-policy exploration, and then applies a token-wise weighting function that enables granular learning from the expert, which promotes on-policy exploration and mitigates disruption from off-policy data. We conduct extensive experiments on mathematical reasoning problems and practical tool-use tasks, providing empirical evidence that CHORD achieves a stable and efficient learning process. By effectively harmonizing off-policy expert data with on-policy exploration, CHORD demonstrates significant improvements over baselines. We release the implementation at https://github.com/modelscope/Trinity-RFT/tree/main/examples/mix_chord to inspire further research.

Recent studies have indicated that vision models pre-trained on images can serve as time series foundation models (TSFMs) by reformulating time series forecasting (TSF) as image reconstruction. However, effective cross-modal transfer from vision to time series remains challenging due to three discrepancies: (1) the data-modality gap between structured, bounded image data and unbounded, heterogeneous time series; (2) the multivariate-forecasting gap between fixed RGB-three-channel vision models and time series with arbitrary numbers of variates; and (3) the probabilistic-forecasting gap between the deterministic outputs of vision models and the requirement for uncertainty-aware probabilistic predictions. To bridge these gaps, we propose VisonTS++, a TSFM based on continual pre-training of a vision model on large-scale time series. Our approach introduces three key innovations: (1) vision-model-based filtering to identify high-quality sequences to stabilize pre-training and mitigate modality gap; (2) colorized multivariate conversion, encoding multivariate series as multi-subfigure RGB images to enhance cross-variate modeling; (3) multi-quantile forecasting, using parallel reconstruction heads to generate quantile forecasts without parametric assumptions. Experiments show that VisionTS++ achieves state-of-the-art performance in both in-distribution and out-of-distribution forecasting, outperforming specialized TSFMs by 6%-44% in MSE reduction and ranking first in GIFT-Eval benchmark which comprises 23 datasets across 7 domains. Our work demonstrates that with appropriate adaptation, vision models can effectively generalize to TSF, thus advancing the pursuit of universal TSFMs. Code is available at https://github.com/HALF111/VisionTSpp.

We analyze the convergence behavior of stochastic gradient descent with momentum (SGDM) under dynamic learning-rate and batch-size schedules by introducing a novel and simpler Lyapunov function. We extend the existing theoretical framework to cover three practical scheduling strategies commonly used in deep learning: a constant batch size with a decaying learning rate, an increasing batch size with a decaying learning rate, and an increasing batch size with an increasing learning rate. Our results reveal a clear hierarchy in convergence: a constant batch size does not guarantee convergence of the expected gradient norm, whereas an increasing batch size does, and simultaneously increasing both the batch size and learning rate achieves a provably faster decay. Empirical results validate our theory, showing that dynamically scheduled SGDM significantly outperforms its fixed-hyperparameter counterpart in convergence speed. We also evaluated a warm-up schedule in experiments, which empirically outperformed all other strategies in convergence behavior.

Prototype-based neural networks offer interpretable predictions by comparing inputs to learned, representative signal patterns anchored in training data. While such models have shown promise in the classification of physiological data, it remains unclear whether their prototypes capture an underlying structure that aligns with broader clinical phenotypes. We use a prototype-based deep learning model trained for multi-label ECG classification using the PTB-XL dataset. Then without modification we performed inference on the MIMIC-IV clinical database. We assess whether individual prototypes, trained solely for classification, are associated with hospital discharge diagnoses in the form of phecodes in this external population. Individual prototypes demonstrate significantly stronger and more specific associations with clinical outcomes compared to the classifier's class predictions, NLP-extracted concepts, or broader prototype classes across all phecode categories. Prototype classes with mixed significance patterns exhibit significantly greater intra-class distances (p $<$ 0.0001), indicating the model learned to differentiate clinically meaningful variations within diagnostic categories. The prototypes achieve strong predictive performance across diverse conditions, with AUCs ranging from 0.89 for atrial fibrillation to 0.91 for heart failure, while also showing substantial signal for non-cardiac conditions such as sepsis and renal disease. These findings suggest that prototype-based models can support interpretable digital phenotyping from physiologic time-series data, providing transferable intermediate phenotypes that capture clinically meaningful physiologic signatures beyond their original training objectives.

We study centralized distributed data parallel training of deep neural networks (DNNs), aiming to improve the trade-off between communication efficiency and model performance of the local gradient methods. To this end, we revisit the flat-minima hypothesis, which suggests that models with better generalization tend to lie in flatter regions of the loss landscape. We introduce a simple, yet effective, sharpness measure, Inverse Mean Valley, and demonstrate its strong correlation with the generalization gap of DNNs. We incorporate an efficient relaxation of this measure into the distributed training objective as a lightweight regularizer that encourages workers to collaboratively seek wide minima. The regularizer exerts a pushing force that counteracts the consensus step pulling the workers together, giving rise to the Distributed Pull-Push Force (DPPF) algorithm. Empirically, we show that DPPF outperforms other communication-efficient approaches and achieves better generalization performance than local gradient methods and synchronous gradient averaging, while maintaining communication efficiency. In addition, our loss landscape visualizations confirm the ability of DPPF to locate flatter minima. On the theoretical side, we show that DPPF guides workers to span flat valleys, with the final valley width governed by the interplay between push and pull strengths, and that its pull-push dynamics is self-stabilizing. We further provide generalization guarantees linked to the valley width and prove convergence in the non-convex setting.