Medicinal chemists often optimize drugs considering their 3D structures and designing structurally distinct molecules that retain key features, such as shapes, pharmacophores, or chemical properties. Previous deep learning approaches address this through supervised tasks like molecule inpainting or property-guided optimization. In this work, we propose a flexible zero-shot molecule manipulation method by navigating in a shared latent space of 3D molecules. We introduce a Variational AutoEncoder (VAE) for 3D molecules, named MolFLAE, which learns a fixed-dimensional, E(3)-equivariant latent space independent of atom counts. MolFLAE encodes 3D molecules using an E(3)-equivariant neural network into fixed number of latent nodes, distinguished by learned embeddings. The latent space is regularized, and molecular structures are reconstructed via a Bayesian Flow Network (BFN) conditioned on the encoder's latent output. MolFLAE achieves competitive performance on standard unconditional 3D molecule generation benchmarks. Moreover, the latent space of MolFLAE enables zero-shot molecule manipulation, including atom number editing, structure reconstruction, and coordinated latent interpolation for both structure and properties. We further demonstrate our approach on a drug optimization task for the human glucocorticoid receptor, generating molecules with improved hydrophilicity while preserving key interactions, under computational evaluations.

In-context learning (ICL) enables large language models to perform few-shot learning by conditioning on labeled examples in the prompt. Despite its flexibility, ICL suffers from instability - especially as prompt length increases with more demonstrations. To address this, we treat ICL as a source of weak supervision and propose a parameter-efficient method that disentangles demonstration-induced latent shifts from those of the query. An ICL-based teacher generates pseudo-labels on unlabeled queries, while a student predicts them using only the query input, updating a lightweight adapter.

Large Language Models (LLMs) show strong generalization across diverse tasks, yet the internal decision-making processes behind their predictions remain opaque. In this work, we study the geometry of hidden representations in LLMs through the lens of intrinsic dimension (ID), focusing specifically on decision-making dynamics in a multiple-choice question answering (MCQA) setting. We perform a large-scale study, with 28 open-weight transformer models and estimate ID across layers using multiple estimators, while also quantifying per-layer performance on MCQA tasks. Our findings reveal a consistent ID pattern across models: early layers operate on low-dimensional manifolds, middle layers expand this space, and later layers compress it again, converging to decision-relevant representations. Together, these results suggest LLMs implicitly learn to project linguistic inputs onto structured, low-dimensional manifolds aligned with task-specific decisions, providing new geometric insights into how generalization and reasoning emerge in language models.

Event cameras provide asynchronous, low-latency, and high-dynamic-range visual signals, making them ideal for real-time perception tasks such as object detection. However, effectively modeling the temporal dynamics of event streams remains a core challenge. Most existing methods follow frame-based detection paradigms, applying temporal modules only at high-level features, which limits early-stage temporal modeling. Transformer-based approaches introduce global attention to capture long-range dependencies, but often add unnecessary complexity and overlook fine-grained temporal cues. In this paper, we propose a CNN-RNN hybrid framework that rethinks temporal modeling for event-based object detection. Our approach is based on two key insights: (1) introducing recurrent modules at lower spatial scales to preserve detailed temporal information where events are most dense, and (2) utilizing Decoupled Deformable-enhanced Recurrent Layers specifically designed according to the inherent motion characteristics of event cameras to extract multiple spatiotemporal features, and performing independent downsampling at multiple spatiotemporal scales to enable flexible, scale-aware representation learning. These multi-scale features are then fused via a feature pyramid network to produce robust detection outputs. Experiments on Gen1, 1 Mpx and eTram dataset demonstrate that our approach achieves superior accuracy over recent transformer-based models, highlighting the importance of precise temporal feature extraction in early stages. This work offers a new perspective on designing architectures for event-driven vision beyond attention-centric paradigms.

Existing molecular machine learning force fields (MLFFs) generally focus on the learning of atoms, molecules, and simple quantum chemical properties (such as energy and force), but ignore the importance of electron density (ED) ρ(r) in accurately understanding molecular force fields (MFFs). ED describes the probability of finding electrons at specific locations around atoms or molecules, which uniquely determines all ground state properties (such as energy, molecular structure, etc.) of interactive multi-particle systems according to the HohenbergKohn theorem. However, the calculation of ED relies on the time-consuming first-principles density functional theory (DFT), which leads to the lack of largescale ED data and limits its application in MLFFs. In this paper, we introduce EDBench, a large-scale, high-quality dataset of ED designed to advance learningbased research at the electronic scale. Built upon the PCQM4Mv2, EDBench provides accurate ED data, covering 3.3 million molecules. To comprehensively evaluate the ability of models to understand and utilize electronic information, we design a suite of ED-centric benchmark tasks spanning prediction, retrieval, and generation. Our evaluation of several state-of-the-art methods demonstrates that learning from EDBench is not only feasible but also achieves high accuracy. Moreover, we show that learning-based methods can efficiently calculate ED with comparable precision while significantly reducing the computational cost relative to traditional DFT calculations. All data and benchmarks from EDBench will be freely available, laying a robust foundation for ED-driven drug discovery and materials science.

Quantization plays a crucial role in accelerating the inference of large-scale models, and rotational matrices have been shown to effectively improve quantization performance by smoothing outliers. However, end-to-end fine-tuning of rotational optimization algorithms incurs high computational costs and is prone to overfitting. To address this challenge, we propose an efficient distribution-aware rotational calibration method, DartQuant, which reduces the complexity of rotational optimization by constraining the distribution of the activations after rotation. This approach also effectively reduces reliance on task-specific losses, thereby mitigating the risk of overfitting. Additionally, we introduce the QR-Orth optimization scheme, which replaces expensive alternating optimization with a more efficient solution. In a variety of model quantization experiments, DartQuant demonstrates superior performance. Compared to existing methods, it achieves 47 acceleration and 10 memory savings for rotational optimization on a 70B model. Furthermore, it is the first to successfully complete rotational calibration for a 70B model on a single 3090 GPU, making quantization of large language models feasible in resource-constrained environments.

Recent multimodal image generators such as GPT-4o, Gemini 2.0 Flash, and Gemini 2.5 Pro excel at following complex instructions, editing images and maintaining concept consistency.

Conventional wisdom attributes the mysterious generalization abilities of overparameterized neural networks to gradient descent (and its variants). The recent volume hypothesis challenges this view: it posits that these generalization abilities persist even when gradient descent is replaced by Guess & Check (G&C), i.e., by randomly drawing weight settings until one that fits the training data is found. The validity of the volume hypothesis for wide and deep neural networks remains an open question. In this paper, we theoretically investigate this question for matrix factorization (with linear and non-linear activation): a canonical testbed in neural network theory. We first prove that generalization under G&C deteriorates with increasing width, establishing what is, to our knowledge, the first canonical case where G&C is provably inferior to gradient descent. Conversely, we prove that generalization under G&C improves with increasing depth, revealing a stark contrast between wide and deep networks, which we further validate empirically. These findings suggest that even in simple settings, there may not be a simple answer to the question of whether neural networks need gradient descent to generalize well.

We propose GAM-Agent, a game-theoretic multi-agent framework for enhancing vision-language reasoning. Unlike prior single-agent or monolithic models, GAM-Agent formulates the reasoning process as a non-zero-sum game between base agents--each specializing in visual perception subtasks--and a critical agent that verifies logic consistency and factual correctness. Agents communicate via structured claims, evidence, and uncertainty estimates. The framework introduces an uncertainty-aware controller to dynamically adjust agent collaboration, triggering multi-round debates when disagreement or ambiguity is detected.

Group Relative Policy Optimization (GRPO) fine-tuning has demonstrated significant enhancements in reasoning tasks. However, it often relies on high quality labeled dataset, which is typically difficult to obtain. To address this challenge, we introduce Noise-Aware Dual-Reward Optimization (NaDRO) to effectively enhances the training of Large Language Models (LLMs) under noisy or ambiguous supervision. NaDRO operates through two key components: (1) Preference-based Outcome Reward (POR),which makes a principled bias-variance tradeoff, reducing training variance by learning from robust preference rankings instead of overfitting to single-best estimates; and (2) Context Perception Reward (CPR) mechanism, which ensures that LLMs conduct necessary qualitative assessment of the current problem state to foster deeper situational understanding prior to decision-making.