Toward Closed-loop Molecular Discovery via Language Model, Property Alignment and Strategic Search

The paper introduces Trio, a closed-loop molecular generation framework that integrates fragment-based language modeling, reinforcement learning, and Monte Carlo tree search to produce chemically valid, diverse, and pharmacologically optimized ligands with significantly improved binding affinity, drug-likeness, and synthetic accessibility compared to state-of-the-art methods.

Junkai Ji, Zhangfan Yang, Dong Xu, Ruibin Bai, Jianqiang Li, Tingjun Hou, Zexuan Zhu2026-03-12🤖 cs.AI

GTR-Turbo: Merged Checkpoint is Secretly a Free Teacher for Agentic VLM Training

GTR-Turbo is a highly efficient training method for multi-modal agents that eliminates the need for costly external teacher models by using merged checkpoints from ongoing reinforcement learning as a "free" teacher, thereby improving accuracy by 10–30% while reducing training time and compute costs by 50% and 60%, respectively.

Tong Wei, Yijun Yang, Changhao Zhang, Junliang Xing, Yuanchun Shi, Zongqing Lu, Deheng Ye2026-03-12🤖 cs.AI

Enhancing Tree Species Classification: Insights from YOLOv8 and Explainable AI Applied to TLS Point Cloud Projections

This paper presents a framework using YOLOv8 and Finer-CAM to achieve 96% accuracy in classifying seven European tree species from TLS 3D point clouds while demonstrating that the model's decisions are interpretable and primarily rely on crown features for most species, with stems playing a more significant role for others.

Adrian Straker, Paul Magdon, Marco Zullich, Maximilian Freudenberg, Christoph Kleinn, Johannes Breidenbach, Stefano Puliti, Nils Noelke2026-03-12🤖 cs.AI

Gradient Dynamics of Attention: How Cross-Entropy Sculpts Bayesian Manifolds

This paper provides a first-order analysis demonstrating that cross-entropy training in transformers induces a coupled specialization of attention routing and value updates—functioning as a two-timescale EM procedure—that sculpts low-dimensional Bayesian manifolds, thereby explaining how gradient-based optimization enables precise probabilistic reasoning.

Naman Agarwal, Siddhartha R. Dalal, Vishal Misra2026-03-12📊 stat

Burn-After-Use for Preventing Data Leakage through a Secure Multi-Tenant Architecture in Enterprise LLM

This paper proposes a Secure Multi-Tenant Architecture (SMTA) combined with a novel Burn-After-Use (BAU) mechanism to effectively prevent data leakage in enterprise LLMs by enforcing strict instance isolation and ephemeral context destruction, achieving high defense success rates against both semantic leakage attacks and post-session persistence threats in experimental evaluations.

Qiang Zhang, Elena Emma Wang, Jiaming Li, Xichun Wang2026-03-12🤖 cs.AI

MemOCR: Layout-Aware Visual Memory for Efficient Long-Horizon Reasoning

MemOCR is a multimodal memory agent that enhances long-horizon reasoning under tight context budgets by converting structured rich-text history into a visually compressed image, allowing the agent to prioritize crucial evidence through layout-aware information density while aggressively reducing low-value details.

Yaorui Shi, Shugui Liu, Yu Yang, Wenyu Mao, Yuxin Chen, Qi GU, Hui Su, Xunliang Cai, Xiang Wang, An Zhang2026-03-12🤖 cs.AI

Evaluating Long-Horizon Memory for Multi-Party Collaborative Dialogues

This paper introduces EverMemBench, the first benchmark designed to evaluate long-horizon memory in multi-party collaborative dialogues, revealing that current LLM systems struggle with multi-hop reasoning, temporal versioning, and implicit relevance retrieval in realistic, complex interaction scenarios.

Chuanrui Hu, Tong Li, Xingze Gao, Hongda Chen, Yi Bai, Dannong Xu, Tianwei Lin, Xiaohong Li, Yunyun Han, Jian Pei, Yafeng Deng2026-03-12💬 cs.CL

Moving On, Even When You're Broken: Fail-Active Trajectory Generation via Diffusion Policies Conditioned on Embodiment and Task

This paper introduces DEFT, a diffusion-based trajectory generator that enables robots to achieve fail-active operation by successfully completing tasks under arbitrary actuation failures, outperforming classical methods in both simulation and real-world scenarios while demonstrating robust zero-shot generalization.

Gilberto G. Briscoe-Martinez, Yaashia Gautam, Rahul Shetty, Anuj Pasricha, Marco M. Nicotra, Alessandro Roncone2026-03-12🤖 cs.AI

UniWeTok: An Unified Binary Tokenizer with Codebook Size 2128\mathit{2^{128}} for Unified Multimodal Large Language Model

UniWeTok is a unified binary tokenizer featuring a massive 21282^{128} codebook, a convolution-attention hybrid architecture with SigLu activation, and a novel three-stage training framework that achieves state-of-the-art performance in image generation and multimodal understanding with significantly lower computational costs than existing models.

Shaobin Zhuang, Yuang Ai, Jiaming Han, Weijia Mao, Xiaohui Li, Fangyikang Wang, Xiao Wang, Yan Li, Shanchuan Lin, Kun Xu, Zhenheng Yang, Huaibo Huang, Xiangyu Yue, Hao Chen, Yali Wang2026-03-12🤖 cs.AI