Student simulation supports educators to improve teaching by interacting with virtual students. However, most existing approaches ignore the modulation effects of course materials because of two challenges: the lack of datasets with granularly annotated course materials, and the limitation of existing simulation models in processing extremely long textual data. To solve the challenges, we first run a 6-week education workshop from N = 60 students to collect fine-grained data using a custom built online education system, which logs students' learning behaviors as they interact with lecture materials over time. Second, we propose a transferable iterative reflection (TIR) module that augments both prompting-based and finetuning-based large language models (LLMs) for simulating learning behaviors. Our comprehensive experiments show that TIR enables the LLMs to perform more accurate student simulation than classical deep learning models, even with limited demonstration data. Our TIR approach better captures the granular dynamism of learning performance and inter-student correlations in classrooms, paving the way towards a ''digital twin'' for online education.

We introduce FewTopNER, a novel framework that integrates few-shot named entity recognition (NER) with topic-aware contextual modeling to address the challenges of cross-lingual and low-resource scenarios. FewTopNER leverages a shared multilingual encoder based on XLM-RoBERTa, augmented with language-specific calibration mechanisms, to generate robust contextual embeddings. The architecture comprises a prototype-based entity recognition branch, employing BiLSTM and Conditional Random Fields for sequence labeling, and a topic modeling branch that extracts document-level semantic features through hybrid probabilistic and neural methods. A cross-task bridge facilitates dynamic bidirectional attention and feature fusion between entity and topic representations, thereby enhancing entity disambiguation by incorporating global semantic context. Empirical evaluations on multilingual benchmarks across English, French, Spanish, German, and Italian demonstrate that FewTopNER significantly outperforms existing state-of-the-art few-shot NER models. In particular, the framework achieves improvements of 2.5-4.0 percentage points in F1 score and exhibits enhanced topic coherence, as measured by normalized pointwise mutual information. Ablation studies further confirm the critical contributions of the shared encoder and cross-task integration mechanisms to the overall performance. These results underscore the efficacy of incorporating topic-aware context into few-shot NER and highlight the potential of FewTopNER for robust cross-lingual applications in low-resource settings.

SDD extends Despite significant advances in generative modeling, a critical continuous state-space diffusion models by explicitly gap remains in developing models explicitly designed modeling sparsity through the introduction of for sparse data. Directly generating sparse data ensures that Sparsity Bits. Empirical validation on image data models learn realistic structures and distributions, preserving from various domains--including two scientific meaningful relationships that thresholding dense data applications, physics and biology--demonstrates would distort. Sparse data is crucial for applications like that SDD achieves high fidelity in representing data augmentation, where realistic but varied samples improve data sparsity while preserving the quality of the model robustness, and compressed representations, generated data.

Large language models (LLMs) have demonstrated remarkable Large language models (LLMs) have demonstrated performance across a wide range of reasoning remarkable reasoning capabilities across tasks, including mathematical problems (Cobbe et al., 2021; diverse domains. Recent studies have shown that Hendrycks et al., 2021a), programming (Chen et al., 2021; increasing test-time computation enhances LLMs' Zhuo et al., 2024) and logical reasoning (Han et al., 2024; reasoning capabilities. This typically involves extensive Liu et al., 2020). One of the key techniques enabling these sampling at inference time guided by an strong reasoning capabilities is Chain-of-Thought (CoT) external LLM verifier, resulting in a two-player prompting (Wei et al., 2022), which allows LLMs to address system. Despite external guidance, the effectiveness complex tasks by generating a series of intermediate of this system demonstrates the potential of reasoning steps. As a result, many early efforts focus on finetuning a single LLM to tackle complex tasks. Thus, we LLMs using large-scale, high-quality CoT reasoning pose a new research problem: Can we internalize chains, either through human annotation (Hendrycks et al., the searching capabilities to fundamentally 2021a; Yue et al., 2024) or by distilling synthetic data from enhance the reasoning abilities of a single LLM? more advanced models (Yu et al., 2024; Toshniwal et al., This work explores an orthogonal direction focusing 2024a; Ding et al., 2024). However, human annotation is on post-training LLMs for autoregressive extremely labor intensive, and distillation often limits the searching (i.e., an extended reasoning process model's reasoning capabilities to certain level.

Brain-computer interfaces (BCIs) enable direct communication between the brain and external devices. This review highlights the core decoding algorithms that enable multimodal BCIs, including a dissection of the elements, a unified view of diversified approaches, and a comprehensive analysis of the present state of the field. We emphasize algorithmic advancements in cross-modality mapping, sequential modeling, besides classic multi-modality fusion, illustrating how these novel AI approaches enhance decoding of brain data. The current literature of BCI applications on visual, speech, and affective decoding are comprehensively explored. Looking forward, we draw attention on the impact of emerging architectures like multimodal Transformers, and discuss challenges such as brain data heterogeneity and common errors. This review also serves as a bridge in this interdisciplinary field for experts with neuroscience background and experts that study AI, aiming to provide a comprehensive understanding for AI-powered multimodal BCIs.

The discovery of new materials is essential for enabling technological advancements. Computational approaches for predicting novel materials must effectively learn the manifold of stable crystal structures within an infinite design space. We introduce Open Materials Generation (OMG), a unifying framework for the generative design and discovery of inorganic crystalline materials. OMG employs stochastic interpolants (SI) to bridge an arbitrary base distribution to the target distribution of inorganic crystals via a broad class of tunable stochastic processes, encompassing both diffusion models and flow matching as special cases. In this work, we adapt the SI framework by integrating an equivariant graph representation of crystal structures and extending it to account for periodic boundary conditions in unit cell representations. Additionally, we couple the SI flow over spatial coordinates and lattice vectors with discrete flow matching for atomic species. We benchmark OMG's performance on two tasks: Crystal Structure Prediction (CSP) for specified compositions, and 'de novo' generation (DNG) aimed at discovering stable, novel, and unique structures. In our ground-up implementation of OMG, we refine and extend both CSP and DNG metrics compared to previous works. OMG establishes a new state-of-the-art in generative modeling for materials discovery, outperforming purely flow-based and diffusion-based implementations. These results underscore the importance of designing flexible deep learning frameworks to accelerate progress in materials science.

This work identifies the Energy Loss Phenomenon in Reinforcement Learning from Human Feedback (RLHF) and its connection to reward hacking. Specifically, energy loss in the final layer of a Large Language Model (LLM) gradually increases during the RL process, with an excessive increase in energy loss characterizing reward hacking. Beyond empirical analysis, we further provide a theoretical foundation by proving that, under mild conditions, the increased energy loss reduces the upper bound of contextual relevance in LLMs, which is a critical aspect of reward hacking as the reduced contextual relevance typically indicates overfitting to reward model-favored patterns in RL. To address this issue, we propose an Energy loss-aware PPO algorithm (EPPO) which penalizes the increase in energy loss in the LLM's final layer during reward calculation to prevent excessive energy loss, thereby mitigating reward hacking. We theoretically show that EPPO can be conceptually interpreted as an entropy-regularized RL algorithm, which provides deeper insights into its effectiveness. Extensive experiments across various LLMs and tasks demonstrate the commonality of the energy loss phenomenon, as well as the effectiveness of EPPO in mitigating reward hacking and improving RLHF performance.

Natural Language Processing (NLP) has seen remarkable advances in recent years, particularly with the emergence of Large Language Models that have achieved unprecedented performance across many tasks. However, these developments have mainly benefited a small number of high-resource languages such as English. The majority of languages still face significant challenges due to the scarcity of training data and computational resources. To address this issue, this thesis focuses on cross-lingual transfer learning, a research area aimed at leveraging data and models from high-resource languages to improve NLP performance for low-resource languages. Specifically, we focus on Sequence Labeling tasks such as Named Entity Recognition, Opinion Target Extraction, and Argument Mining. The research is structured around three main objectives: (1) advancing data-based cross-lingual transfer learning methods through improved translation and annotation projection techniques, (2) developing enhanced model-based transfer learning approaches utilizing state-of-the-art multilingual models, and (3) applying these methods to real-world problems while creating open-source resources that facilitate future research in low-resource NLP. More specifically, this thesis presents a new method to improve data-based transfer with T-Projection, a state-of-the-art annotation projection method that leverages text-to-text multilingual models and machine translation systems. T-Projection significantly outperforms previous annotation projection methods by a wide margin. For model-based transfer, we introduce a constrained decoding algorithm that enhances cross-lingual Sequence Labeling in zero-shot settings using text-to-text models. Finally, we develop Medical mT5, the first multilingual text-to-text medical model, demonstrating the practical impact of our research on real-world applications.

Low-rank tensor estimation offers a powerful approach to addressing high-dimensional data challenges and can substantially improve solutions to ill-posed inverse problems, such as image reconstruction under noisy or undersampled conditions. Meanwhile, tensor decomposition has gained prominence in federated learning (FL) due to its effectiveness in exploiting latent space structure and its capacity to enhance communication efficiency. In this paper, we present a federated image reconstruction method that applies Tucker decomposition, incorporating joint factorization and randomized sketching to manage large-scale, multimodal data. Our approach avoids reconstructing full-size tensors and supports heterogeneous ranks, allowing clients to select personalized decomposition ranks based on prior knowledge or communication capacity. Numerical results demonstrate that our method achieves superior reconstruction quality and communication compression compared to existing approaches, thereby highlighting its potential for multimodal inverse problems in the FL setting.

Pedestrian trajectory prediction aims to forecast future movements based on historical paths. Spatial-temporal (ST) methods often separately model spatial interactions among pedestrians and temporal dependencies of individuals. They overlook the direct impacts of interactions among different pedestrians across various time steps (i.e., high-order cross-time interactions). This limits their ability to capture ST inter-dependencies and hinders prediction performance. To address these limitations, we propose UniEdge with three major designs. Firstly, we introduce a unified ST graph data structure that simplifies high-order cross-time interactions into first-order relationships, enabling the learning of ST inter-dependencies in a single step. This avoids the information loss caused by multi-step aggregation. Secondly, traditional GNNs focus on aggregating pedestrian node features, neglecting the propagation of implicit interaction patterns encoded in edge features. We propose the Edge-to-Edge-Node-to-Node Graph Convolution (E2E-N2N-GCN), a novel dual-graph network that jointly models explicit N2N social interactions among pedestrians and implicit E2E influence propagation across these interaction patterns. Finally, to overcome the limited receptive fields and challenges in capturing long-range dependencies of auto-regressive architectures, we introduce a transformer encoder-based predictor that enables global modeling of temporal correlation. UniEdge outperforms state-of-the-arts on multiple datasets, including ETH, UCY, and SDD.