NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation

3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers, they overlook the advantages of 1D SELFIES-based Language Models (LMs), which can generate 100% valid molecules and leverage the billion-scale 1D molecule datasets. To combine these advantages for 3D molecule generation, we propose a foundation model -- NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation. NExT-Mol uses an extensively pretrained molecule LM for 1D molecule generation, and subsequently predicts the generated molecule's 3D conformers with a 3D diffusion model. We enhance NExT-Mol's performance by scaling up the LM's model size, refining the diffusion neural architecture, and applying 1D to 3D transfer learning. Notably, our 1D molecule LM significantly outperforms baselines in distributional similarity while ensuring validity, and our 3D diffusion model achieves leading performances in conformer prediction. Given these improvements in 1D and 3D modeling, NExT-Mol achieves a 26% relative improvement in 3D FCD for de novo 3D generation on GEOM-DRUGS, and a 13% average relative gain for conditional 3D generation on QM9-2014. Our codes and pretrained checkpoints are available at https://github.com/acharkq/NExT-Mol.

Reinforced Lifelong Editing for Language Models

Large language models (LLMs) acquire information from pre-training corpora, but their stored knowledge can become inaccurate or outdated over time. Model editing addresses this challenge by modifying model parameters without retraining, and prevalent approaches leverage hypernetworks to generate these parameter updates. However, they face significant challenges in lifelong editing due to their incompatibility with LLM parameters that dynamically change during the editing process. To address this, we observed that hypernetwork-based lifelong editing aligns with reinforcement learning modeling and proposed RLEdit, an RL-based editing method. By treating editing losses as rewards and optimizing hypernetwork parameters at the full knowledge sequence level, we enable it to precisely capture LLM changes and generate appropriate parameter updates. Our extensive empirical evaluation across several LLMs demonstrates that RLEdit outperforms existing methods in lifelong editing with superior effectiveness and efficiency, achieving a 59.24% improvement while requiring only 2.11% of the time compared to most approaches. Our code is available at: https://github.com/zhrli324/RLEdit.

AnyEdit: Edit Any Knowledge Encoded in Language Models

Large language models (LLMs) often produce incorrect or outdated information, necessitating efficient and precise knowledge updates. Current model editing methods, however, struggle with long-form knowledge in diverse formats, such as poetry, code snippets, and mathematical derivations. These limitations arise from their reliance on editing a single token's hidden state, a limitation we term "efficacy barrier". To solve this, we propose AnyEdit, a new autoregressive editing paradigm. It decomposes long-form knowledge into sequential chunks and iteratively edits the key token in each chunk, ensuring consistent and accurate outputs. Theoretically, we ground AnyEdit in the Chain Rule of Mutual Information, showing its ability to update any knowledge within LLMs. Empirically, it outperforms strong baselines by 21.5% on benchmarks including UnKEBench, AKEW, and our new EditEverything dataset for long-form diverse-formatted knowledge. Additionally, AnyEdit serves as a plug-and-play framework, enabling current editing methods to update knowledge with arbitrary length and format, significantly advancing the scope and practicality of LLM knowledge editing.

Multi-agent Architecture Search via Agentic Supernet

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs. Despite the availability of methods to automate the design of agentic workflows, they typically seek to identify a static, complex, one-size-fits-all system, which, however, fails to dynamically allocate inference resources based on the difficulty and domain of each query. To address this challenge, we shift away from the pursuit of a monolithic agentic system, instead optimizing the \textbf{agentic supernet}, a probabilistic and continuous distribution of agentic architectures. We introduce MaAS, an automated framework that samples query-dependent agentic systems from the supernet, delivering high-quality solutions and tailored resource allocation (\textit{e.g.}, LLM calls, tool calls, token cost). Comprehensive evaluation across six benchmarks demonstrates that MaAS \textbf{(I)} requires only $6\sim45\%$ of the inference costs of existing handcrafted or automated multi-agent systems, \textbf{(II)} surpasses them by $0.54\%\sim11.82\%$, and \textbf{(III)} enjoys superior cross-dataset and cross-LLM-backbone transferability.

DAMO: Data- and Model-aware Alignment of Multi-modal LLMs

Direct Preference Optimization (DPO) has shown effectiveness in aligning multi-modal large language models (MLLM) with human preferences. However, existing methods exhibit an imbalanced responsiveness to the data of varying hardness, tending to overfit on the easy-to-distinguish data while underfitting on the hard-to-distinguish data. In this paper, we propose Data- and Model-aware DPO (DAMO) to dynamically adjust the optimization process from two key aspects: (1) a data-aware strategy that incorporates data hardness, and (2) a model-aware strategy that integrates real-time model responses. By combining the two strategies, DAMO enables the model to effectively adapt to data with varying levels of hardness. Extensive experiments on five benchmarks demonstrate that DAMO not only significantly enhances the trustworthiness, but also improves the effectiveness over general tasks. For instance, on the Object HalBench, our DAMO-7B reduces response-level and mentioned-level hallucination by 90.0% and 95.3%, respectively, surpassing the performance of GPT-4V.

PatchRec: Multi-Grained Patching for Efficient LLM-based Sequential Recommendation

Large Language Models for sequential recommendation (LLM4SR), which transform user-item interactions into language modeling, have shown promising results. However, due to the limitations of context window size and the computational costs associated with Large Language Models (LLMs), current approaches primarily truncate user history by only considering the textual information of items from the most recent interactions in the input prompt. This truncation fails to fully capture the long-term behavioral patterns of users. To address this, we propose a multi-grained patching framework -- PatchRec. It compresses the textual tokens of an item title into a compact item patch, and further compresses multiple item patches into a denser session patch, with earlier interactions being compressed to a greater degree. The framework consists of two stages: (1) Patch Pre-training, which familiarizes LLMs with item-level compression patterns, and (2) Patch Fine-tuning, which teaches LLMs to model sequences at multiple granularities. Through this simple yet effective approach, empirical results demonstrate that PatchRec outperforms existing methods, achieving significant performance gains with fewer tokens fed to the LLM. Specifically, PatchRec shows up to a 32% improvement in HR@20 on the Goodreads dataset over uncompressed baseline, while using only 7% of the tokens. This multi-grained sequence modeling paradigm, with an adjustable compression ratio, enables LLMs to be efficiently deployed in real-world recommendation systems that handle extremely long user behavior sequences.

CookingDiffusion: Cooking Procedural Image Generation with Stable Diffusion

Recent advancements in text-to-image generation models have excelled in creating diverse and realistic images. This success extends to food imagery, where various conditional inputs like cooking styles, ingredients, and recipes are utilized. However, a yet-unexplored challenge is generating a sequence of procedural images based on cooking steps from a recipe. This could enhance the cooking experience with visual guidance and possibly lead to an intelligent cooking simulation system. To fill this gap, we introduce a novel task called \textbf{cooking procedural image generation}. This task is inherently demanding, as it strives to create photo-realistic images that align with cooking steps while preserving sequential consistency. To collectively tackle these challenges, we present \textbf{CookingDiffusion}, a novel approach that leverages Stable Diffusion and three innovative Memory Nets to model procedural prompts. These prompts encompass text prompts (representing cooking steps), image prompts (corresponding to cooking images), and multi-modal prompts (mixing cooking steps and images), ensuring the consistent generation of cooking procedural images. To validate the effectiveness of our approach, we preprocess the YouCookII dataset, establishing a new benchmark. Our experimental results demonstrate that our model excels at generating high-quality cooking procedural images with remarkable consistency across sequential cooking steps, as measured by both the FID and the proposed Average Procedure Consistency metrics. Furthermore, CookingDiffusion demonstrates the ability to manipulate ingredients and cooking methods in a recipe. We will make our code, models, and dataset publicly accessible.

DVM: Towards Controllable LLM Agents in Social Deduction Games

Large Language Models (LLMs) have advanced the capability of game agents in social deduction games (SDGs). These games rely heavily on conversation-driven interactions and require agents to infer, make decisions, and express based on such information. While this progress leads to more sophisticated and strategic non-player characters (NPCs) in SDGs, there exists a need to control the proficiency of these agents. This control not only ensures that NPCs can adapt to varying difficulty levels during gameplay, but also provides insights into the safety and fairness of LLM agents. In this paper, we present DVM, a novel framework for developing controllable LLM agents for SDGs, and demonstrate its implementation on one of the most popular SDGs, Werewolf. DVM comprises three main components: Predictor, Decider, and Discussor. By integrating reinforcement learning with a win rate-constrained decision chain reward mechanism, we enable agents to dynamically adjust their gameplay proficiency to achieve specified win rates. Experiments show that DVM not only outperforms existing methods in the Werewolf game, but also successfully modulates its performance levels to meet predefined win rate targets. These results pave the way for LLM agents' adaptive and balanced gameplay in SDGs, opening new avenues for research in controllable game agents.

Position-aware Graph Transformer for Recommendation

Collaborative recommendation fundamentally involves learning high-quality user and item representations from interaction data. Recently, graph convolution networks (GCNs) have advanced the field by utilizing high-order connectivity patterns in interaction graphs, as evidenced by state-of-the-art methods like PinSage and LightGCN. However, one key limitation has not been well addressed in existing solutions: capturing long-range collaborative filtering signals, which are crucial for modeling user preference. In this work, we propose a new graph transformer (GT) framework -- \textit{Position-aware Graph Transformer for Recommendation} (PGTR), which combines the global modeling capability of Transformer blocks with the local neighborhood feature extraction of GCNs. The key insight is to explicitly incorporate node position and structure information from the user-item interaction graph into GT architecture via several purpose-designed positional encodings. The long-range collaborative signals from the Transformer block are then combined linearly with the local neighborhood features from the GCN backbone to enhance node embeddings for final recommendations. Empirical studies demonstrate the effectiveness of the proposed PGTR method when implemented on various GCN-based backbones across four real-world datasets, and the robustness against interaction sparsity as well as noise.

FreeScale: Unleashing the Resolution of Diffusion Models via Tuning-Free Scale Fusion

Visual diffusion models achieve remarkable progress, yet they are typically trained at limited resolutions due to the lack of high-resolution data and constrained computation resources, hampering their ability to generate high-fidelity images or videos at higher resolutions. Recent efforts have explored tuning-free strategies to exhibit the untapped potential higher-resolution visual generation of pre-trained models. However, these methods are still prone to producing low-quality visual content with repetitive patterns. The key obstacle lies in the inevitable increase in high-frequency information when the model generates visual content exceeding its training resolution, leading to undesirable repetitive patterns deriving from the accumulated errors. To tackle this challenge, we propose FreeScale, a tuning-free inference paradigm to enable higher-resolution visual generation via scale fusion. Specifically, FreeScale processes information from different receptive scales and then fuses it by extracting desired frequency components. Extensive experiments validate the superiority of our paradigm in extending the capabilities of higher-resolution visual generation for both image and video models. Notably, compared with the previous best-performing method, FreeScale unlocks the generation of 8k-resolution images for the first time.