Mass spectrometry (MS) plays a critical role in molecular identification, significantly advancing scientific discovery. However, structure elucidation from MS data remains challenging due to the scarcity of annotated spectra. While large-scale pretraining has proven effective in addressing data scarcity in other domains, applying this paradigm to mass spectrometry is hindered by the complexity and heterogeneity of raw spectral signals. To address this, we propose MS-BART, a unified modeling framework that maps mass spectra and molecular structures into a shared token vocabulary, enabling cross-modal learning through large-scale pretraining on reliably computed fingerprint-molecule datasets. Multi-task pretraining objectives further enhance MS-BART's generalization by jointly optimizing denoising and translation task.

Brain-inspired spiking neural networks (SNNs) promise to be a low-power alternative to computationally intensive artificial neural networks (ANNs), although performance gaps persist. Recent studies have improved the performance of SNNs through knowledge distillation, but rely on large teacher models or introduce additional training overhead. In this paper, we show that SNNs can be naturally deconstructed into multiple submodels for efficient self-distillation. We treat each timestep instance of the SNN as a submodel and evaluate its output confidence, thus efficiently identifying the strong and the weak. Based on this strong and weak relationship, we propose two efficient self-distillation schemes: (1) Strong2Weak: During training, the stronger teacher guides the weaker student, effectively improving overall performance.

Autoregressive (AR) language models generate text one token at a time, which limits their inference speed. Diffusion-based language models offer a promising alternative, as they can decode multiple tokens in parallel. However, we identify a key bottleneck in current diffusion LMs: the \textbf{long decoding-window problem}, where tokens generated far from the input context often become irrelevant or repetitive. Previous solutions like semi-autoregressive address this issue by splitting windows into blocks (sacrificing bidirectionality), but we find that this also leads to \textbf{time-interval expansion problem}, sacrificing the speed. Therefore, semi-AR eliminates the main advantages of diffusion models. To overcome this, we propose Convolutional decoding (\textit{Conv}), a normalization-based method that narrows the decoding window without hard segmentation, leading to better fluency and flexibility. Additionally, we introduce Rejecting Rule-based Fine-Tuning (R2FT), a post-hoc training scheme that better aligns tokens at positions far from context. Our methods achieve state-of-the-art results on open-ended generation benchmarks (e.g., AlpacaEval) among diffusion LM baselines, with significantly lower step size than previous works, demonstrating both speed and quality improvements. The code is available online (\url{https://github.com/ybseo-ac/Conv}).

Density estimation is essential for generative modeling, particularly with the rise of modern neural networks. While existing methods capture complex data distributions, they often lack interpretability and uncertainty quantification.

Large Vision-Language Models (LVLMs) with discrete image tokenizers unify multimodal representations by encoding visual inputs into a finite set of tokens. Despite their effectiveness, we find that these models still hallucinate non-existent objects. We hypothesize that one reason is due to visual priors induced during training: when certain image tokens frequently co-occur in the same spatial regions and represent shared objects, they become strongly associated with the verbalizations of those objects.

Direct Preference Optimization (DPO) has emerged as an effective approach for mitigating hallucination in Multimodal Large Language Models (MLLMs). Although existing methods have achieved significant progress by utilizing vision-oriented contrastive objectives for enhancing MLLMs' attention to visual inputs and hence reducing hallucination, they suffer from non-rigorous optimization objective function and indirect preference supervision. To address these limitations, we propose a Symmetric Multimodal Preference Optimization (SymMPO), which conducts symmetric preference learning with direct preference supervision (i.e., response pairs) for visual understanding enhancement, while maintaining rigorous theoretical alignment with standard DPO. In addition to conventional ordinal preference learning, SymMPO introduces a preference margin consistency loss to quantitatively regulate the preference gap between symmetric preference pairs. Comprehensive evaluation across five benchmarks demonstrate SymMPO's superior performance, validating its effectiveness in hallucination mitigation of MLLMs.

The dynamic nature of real-world information demands efficient knowledge editing in multimodal large language models (MLLMs) to ensure continuous knowledge updates. However, existing methods often struggle with precise matching in large-scale knowledge retrieval and lack multi-level guidance for coordinated editing, leading to less reliable outcomes. To tackle these challenges, we propose CARML, a novel retrieval-augmented editing framework that integrates conflict-aware dynamic retrieval with multi-level implicit and explicit guidance for reliable lifelong multimodal editing. Specifically, CARML introduces intra-modal uncertainty and inter-modal conflict quantification to dynamically integrate multi-channel retrieval results, so as to pinpoint the most relevant knowledge to the incoming edit samples. Afterwards, an edit scope classifier discerns whether the edit sample semantically aligns with the edit scope of the retrieved knowledge. If deemed in-scope, CARML refines the retrieved knowledge into information-rich continuous prompt prefixes, serving as the implicit knowledge guide. These prefixes not only include static knowledge prompt that capture key textual semantics but also incorporate token-level, context-aware dynamic prompt to explore fine-grained cross-modal associations between the edit sample and retrieved knowledge. To further enhance reliability, CARML incorporates a hard correction mechanism, leveraging explicit label knowledge to adjust the model's output logits. Extensive experiments across multiple MLLMs and datasets indicate the superior performance of CARML in lifelong multimodal editing scenarios.

Parameter-efficient fine-tuning (PEFT) powerful pre-trained models for complex downstream tasks has proven effective in vision and language processing, yet this paradigm remains unexplored in scientific machine learning, where the objective is to model complex physical systems. We conduct the first systematic study of PEFT for pre-trained Large Operator Models (LOMs) obtained by scaling variants of Fourier Neural Operator. We observe that the widely used Low-Rank Adaptation (LoRA) yields markedly poorer performance on LOMs than Adapter tuning. We further theoretically establish that stacked LoRA incurs a depth-amplified lower bound on approximation error within Fourier layers, whereas adapters retain universal approximation capacity and, by concentrating parameters on energy-dominant low-frequency modes, attain exponentially decaying error with bottleneck width in the Fourier domain. Motivated by the robust empirical gains of adapters and by our theoretical characterization of PDE solutions as spectrally sparse, we introduce Frequency-Adaptive Adapter (F-Adapter). F-Adapter allocates adapter capacity based on spectral complexity, assigning higher-dimension modules to low-frequency components and lower-dimension modules to high-frequency components. Our F-Adapters establish state-of-the-art results on multiple challenging 3D Navier-Stokes benchmarks, markedly enhancing both generalization and spectral fidelity over LoRA and other PEFT techniques commonly used in LLMs. To the best of our knowledge, this work is the first to explore PEFT for scientific machine-learning and establishes F-Adapter as an effective paradigm for this domain. The code will be made publicly available upon acceptance.

When applied sequentially to video, frame-based networks often exhibit temporal inconsistency--for example, outputs that flicker between frames. This problem is amplified when the network inputs contain time-varying corruptions. In this work, we introduce a general approach for adapting frame-based models for stable and robust inference on video. We describe a class of stability adapters that can be inserted into virtually any architecture and a resource-efficient training process that can be performed with a frozen base network. We introduce a unified conceptual framework for describing temporal stability and corruption robustness, centered on a proposed accuracy-stability-robustness loss. By analyzing the theoretical properties of this loss, we identify the conditions where it produces well-behaved stabilizer training.

Network pruning reduces computational requirements of large neural networks, with N:M sparsity--retaining only N out of every M consecutive weights--offering a compelling balance between compressed model quality and hardware acceleration. However, N:M sparsity only accelerates forward-pass computations, as N:M patterns are not preserved during matrix transposition, limiting efficiency during training where both passes are computationally intensive. While transposable N:M sparsity has been proposed to address this limitation, existing methods for finding transposable N:M sparse masks either fail to scale to large models or are restricted to M=4 which results in suboptimal compression-accuracy trade-off. We introduce an efficient solver for transposable N:M masks that scales to billion-parameter models. We formulate mask generation as optimal transport problems and solve through entropy regularization and Dykstra's algorithm, followed by a rounding procedure. Our tensor-based implementation exploits GPU parallelism, achieving up to 100 speedup with only 1-10\% error compared to existing methods. Our approach can be integrated with layer-wise N:M pruning frameworks including Wanda, SparseGPT and ALPS to produce transposable N:M sparse models with arbitrary N:M values. Experiments show that LLaMA3.2-8B with transposable 16:32 sparsity maintains performance close to its standard N:M counterpart and outperforms standard 2:4 sparse model, showing the practical value of our approach.