OThink-MR1: Stimulating multimodal generalized reasoning capabilities through dynamic reinforcement learning

Multimodal Language Models have gained significant traction for their ability to process diverse input data types and generate coherent, contextually relevant outputs across various applications. While supervised fine-tuning (SFT) has been the predominant approach to enhance MLLM capabilities in task-specific optimization, it often falls short in fostering crucial generalized reasoning abilities. Despite the potential of reinforcement learning (RL) to address these limitations, it faces two issues: (1) its generalized capabilities in multimodal tasks remain underexplored. (2) its training constraints such as constant Kullback-Leibler or clamp strategy easily lead to suboptimal bottleneck. To adress these issues, we introduce OThink-MR1, a framework that extends RL to MLLMs, enabling them to achieve deeper understanding and reasoning across multimodal tasks. We design a dynamic Kullback-Leibler strategy that significantly enhances RL performance, surpassing SFT in same-task evaluations. Also, we are the first to reveal that RL exhibits remarkable cross-task generalization capabilities, which shows that models post-trained with RL on one multimodal task can be effectively transfered to another tasks. Finally, extensive experiments demonstrate the great reasoning ability of our proposed OThink-MR1.

Towards Unified Latent Space for 3D Molecular Latent Diffusion Modeling

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose \textbf{U}nified Variational \textbf{A}uto-\textbf{E}ncoder for \textbf{3D} Molecular Latent Diffusion Modeling (\textbf{UAE-3D}), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both \textit{de novo} and conditional 3D molecule generation, achieving leading efficiency and quality.

A Multi-Power Law for Loss Curve Prediction Across Learning Rate Schedules

Training large models is both resource-intensive and time-consuming, making it crucial to understand the quantitative relationship between model performance and hyperparameters. In this paper, we present an empirical law that describes how the pretraining loss of large language models evolves under different learning rate schedules, such as constant, cosine, and step decay schedules. Our proposed law takes a multi-power form, combining a power law based on the sum of learning rates and additional power laws to account for a loss reduction effect induced by learning rate decay. We extensively validate this law on various model sizes and architectures, and demonstrate that after fitting on a few learning rate schedules, the law accurately predicts the loss curves for unseen schedules of different shapes and horizons. Moreover, by minimizing the predicted final pretraining loss across learning rate schedules, we are able to find a schedule that outperforms the widely used cosine learning rate schedule. Interestingly, this automatically discovered schedule bears some resemblance to the recently proposed Warmup-Stable-Decay (WSD) schedule (Hu et al, 2024) but achieves a slightly lower final loss. We believe these results could offer valuable insights for understanding the dynamics of pretraining and designing learning rate schedules to improve efficiency.

WiFi-Diffusion: Achieving Fine-Grained WiFi Radio Map Estimation With Ultra-Low Sampling Rate by Diffusion Models

Fine-grained radio map presents communication parameters of interest, e.g., received signal strength, at every point across a large geographical region. It can be leveraged to improve the efficiency of spectrum utilization for a large area, particularly critical for the unlicensed WiFi spectrum. The problem of fine-grained radio map estimation is to utilize radio samples collected by sparsely distributed sensors to infer the map. This problem is challenging due to the ultra-low sampling rate, where the number of available samples is far less than the fine-grained resolution required for radio map estimation. We propose WiFi-Diffusion -- a novel generative framework for achieving fine-grained WiFi radio map estimation using diffusion models. WiFi-Diffusion employs the creative power of generative AI to address the ultra-low sampling rate challenge and consists of three blocks: 1) a boost block, using prior information such as the layout of obstacles to optimize the diffusion model; 2) a generation block, leveraging the diffusion model to generate a candidate set of radio maps; and 3) an election block, utilizing the radio propagation model as a guide to find the best radio map from the candidate set. Extensive simulations demonstrate that 1) the fine-grained radio map generated by WiFi-Diffusion is ten times better than those produced by state-of-the-art (SOTA) when they use the same ultra-low sampling rate; and 2) WiFi-Diffusion achieves comparable fine-grained radio map quality with only one-fifth of the sampling rate required by SOTA.

Cost-Optimal Grouped-Query Attention for Long-Context LLMs

Building effective and efficient Transformer-based large language models (LLMs) has recently become a research focus, requiring maximizing model language capabilities and minimizing training and deployment costs. Existing efforts have primarily described complex relationships among model performance, parameter size, and data size, as well as searched for the optimal compute allocation to train LLMs. However, they overlook the impacts of context length and attention head configuration (the number of query and key-value heads in grouped-query attention) on training and inference. In this paper, we systematically compare models with different parameter sizes, context lengths, and attention head configurations in terms of model performance, computational cost, and memory cost. Then, we extend the existing scaling methods, which are based solely on parameter size and training compute, to guide the construction of cost-optimal LLMs during both training and inference. Our quantitative scaling studies show that, when processing sufficiently long sequences, a larger model with fewer attention heads can achieve a lower loss while incurring lower computational and memory costs. Our findings provide valuable insights for developing practical LLMs, especially in long-context processing scenarios. We will publicly release our code and data.

Multimodal Language Modeling for High-Accuracy Single Cell Transcriptomics Analysis and Generation

Pre-trained language models (PLMs) have revolutionized scientific research, yet their application to single-cell analysis remains limited. Text PLMs cannot process single-cell RNA sequencing data, while cell PLMs lack the ability to handle free text, restricting their use in multimodal tasks. Existing efforts to bridge these modalities often suffer from information loss or inadequate single-modal pre-training, leading to suboptimal performances. To address these challenges, we propose Single-Cell MultiModal Generative Pre-trained Transformer (scMMGPT), a unified PLM for joint cell and text modeling. scMMGPT effectively integrates the state-of-the-art cell and text PLMs, facilitating cross-modal knowledge sharing for improved performance. To bridge the text-cell modality gap, scMMGPT leverages dedicated cross-modal projectors, and undergoes extensive pre-training on 27 million cells -- the largest dataset for multimodal cell-text PLMs to date. This large-scale pre-training enables scMMGPT to excel in joint cell-text tasks, achieving an 84\% relative improvement of textual discrepancy for cell description generation, 20.5\% higher accuracy for cell type annotation, and 4\% improvement in $k$-NN accuracy for text-conditioned pseudo-cell generation, outperforming baselines.

Dataset Distillation with Neural Characteristic Function: A Minmax Perspective

Dataset distillation has emerged as a powerful approach for reducing data requirements in deep learning. Among various methods, distribution matching-based approaches stand out for their balance of computational efficiency and strong performance. However, existing distance metrics used in distribution matching often fail to accurately capture distributional differences, leading to unreliable measures of discrepancy. In this paper, we reformulate dataset distillation as a minmax optimization problem and introduce Neural Characteristic Function Discrepancy (NCFD), a comprehensive and theoretically grounded metric for measuring distributional differences. NCFD leverages the Characteristic Function (CF) to encapsulate full distributional information, employing a neural network to optimize the sampling strategy for the CF's frequency arguments, thereby maximizing the discrepancy to enhance distance estimation. Simultaneously, we minimize the difference between real and synthetic data under this optimized NCFD measure. Our approach, termed Neural Characteristic Function Matching (\mymethod{}), inherently aligns the phase and amplitude of neural features in the complex plane for both real and synthetic data, achieving a balance between realism and diversity in synthetic samples. Experiments demonstrate that our method achieves significant performance gains over state-of-the-art methods on both low- and high-resolution datasets. Notably, we achieve a 20.5\% accuracy boost on ImageSquawk. Our method also reduces GPU memory usage by over 300$\times$ and achieves 20$\times$ faster processing speeds compared to state-of-the-art methods. To the best of our knowledge, this is the first work to achieve lossless compression of CIFAR-100 on a single NVIDIA 2080 Ti GPU using only 2.3 GB of memory.

Learning to Generate Structured Output with Schema Reinforcement Learning

This study investigates the structured generation capabilities of large language models (LLMs), focusing on producing valid JSON outputs against a given schema. Despite the widespread use of JSON in integrating language models with programs, there is a lack of comprehensive analysis and benchmarking of these capabilities. We explore various aspects of JSON generation, such as structure understanding, escaping, and natural language description, to determine how to assess and enable LLMs to generate valid responses. Building upon this, we propose SchemaBench features around 40K different JSON schemas to obtain and assess models' abilities in generating valid JSON. We find that the latest LLMs are still struggling to generate a valid JSON string. Moreover, we demonstrate that incorporating reinforcement learning with a Fine-grained Schema Validator can further enhance models' understanding of JSON schema, leading to improved performance. Our models demonstrate significant improvement in both generating JSON outputs and downstream tasks.

Judge as A Judge: Improving the Evaluation of Retrieval-Augmented Generation through the Judge-Consistency of Large Language Models

Retrieval-Augmented Generation (RAG) has proven its effectiveness in alleviating hallucinations for Large Language Models (LLMs). However, existing automated evaluation metrics cannot fairly evaluate the outputs generated by RAG models during training and evaluation. LLM-based judgment models provide the potential to produce high-quality judgments, but they are highly sensitive to evaluation prompts, leading to inconsistencies when judging the output of RAG models. This paper introduces the Judge-Consistency (ConsJudge) method, which aims to enhance LLMs to generate more accurate evaluations for RAG models. Specifically, ConsJudge prompts LLMs to generate different judgments based on various combinations of judgment dimensions, utilize the judge-consistency to evaluate these judgments and select the accepted and rejected judgments for DPO training. Our experiments show that ConsJudge can effectively provide more accurate judgments for optimizing RAG models across various RAG models and datasets. Further analysis reveals that judgments generated by ConsJudge have a high agreement with the superior LLM. All codes are available at https://github.com/OpenBMB/ConsJudge.

AgentRM: Enhancing Agent Generalization with Reward Modeling

Existing LLM-based agents have achieved strong performance on held-in tasks, but their generalizability to unseen tasks remains poor. Hence, some recent work focus on fine-tuning the policy model with more diverse tasks to improve the generalizability. In this work, we find that finetuning a reward model to guide the policy model is more robust than directly finetuning the policy model. Based on this finding, we propose AgentRM, a generalizable reward model, to guide the policy model for effective test-time search. We comprehensively investigate three approaches to construct the reward model, including explicit reward modeling, implicit reward modeling and LLM-as-a-judge. We then use AgentRM to guide the answer generation with Best-of-N sampling and step-level beam search. On four types of nine agent tasks, AgentRM enhances the base policy model by $8.8$ points on average, surpassing the top general agent by $4.0$. Moreover, it demonstrates weak-to-strong generalization, yielding greater improvement of $12.6$ on LLaMA-3-70B policy model. As for the specializability, AgentRM can also boost a finetuned policy model and outperform the top specialized agent by $11.4$ on three held-in tasks. Further analysis verifies its effectiveness in test-time scaling. Codes will be released to facilitate the research in this area.