Abstract:Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful paradigm for enhancing the reasoning capabilities of Large Language Models (LLMs). However, vanilla RLVR suffers from inefficient exploration, particularly when confronting "hard samples" that yield nearzero success rates. In such scenarios, the reliance on sparse outcome rewards typically results in zero-advantage estimates, effectively starving the model of supervision signals despite the high informational value of these instances. To address this, we propose P^2O, a novel framework that synergizes Prompt Optimization with Policy Optimization. P^2O identifies hard samples during training iterations and leverages the GeneticPareto (GEPA) prompt optimization algorithm to evolve prompt templates that guide the model toward discovering successful trajectories. Crucially, unlike traditional prompt engineering methods that rely on input augmentation, P^2O distills the reasoning gains induced by these optimized prompts directly into the model parameters. This mechanism provides denser positive supervision signals for hard samples and accelerates convergence. Extensive experiments demonstrate that P^2O not only achieves superior performance on in-distribution datasets but also exhibits strong generalization, yielding substantial improvements on out-of-distribution benchmarks (+4.7% avg.).
Abstract:We introduce Suiren-1.0, a family of molecular foundation models for the accurate modeling of diverse organic systems. Suiren-1.0 comprising three specialized variants (Suiren-Base, Suiren-Dimer, and Suiren-ConfAvg) is integrated within an algorithmic framework that bridges the gap between 3D conformational geometry and 2D statistical ensemble spaces. We first pre-train Suiren-Base (1.8B parameters) on a 70M-sample Density Functional Theory dataset using spatial self-supervision and SE(3)-equivariant architectures, achieving robust performance in quantum property prediction. Suiren-Dimer extends this capability through continued pre-training on 13.5M intermolecular interaction samples. To enable efficient downstream application, we propose Conformation Compression Distillation (CCD), a diffusion-based framework that distills complex 3D structural representations into 2D conformation-averaged representations. This yields the lightweight Suiren-ConfAvg, which generates high-fidelity representations from SMILES or molecular graphs. Our extensive evaluations demonstrate that Suiren-1.0 establishes state-of-the-art results across a range of tasks. All models and benchmarks are open-sourced.




Abstract:SE(3)-equivariant Graph Neural Networks (GNNs) have significantly advanced molecular system modeling by employing group representations. However, their message passing processes, which rely on tensor product-based convolutions, are limited by insufficient non-linearity and incomplete group representations, thereby restricting expressiveness. To overcome these limitations, we introduce the Equivariant Spherical Transformer (EST), a novel framework that leverages a Transformer structure within the spatial domain of group representations after Fourier transform. We theoretically and empirically demonstrate that EST can encompass the function space of tensor products while achieving superior expressiveness. Furthermore, EST's equivariant inductive bias is guaranteed through a uniform sampling strategy for the Fourier transform. Our experiments demonstrate state-of-the-art performance by EST on various molecular benchmarks, including OC20 and QM9.
Abstract:As AI capabilities increasingly surpass human proficiency in complex tasks, current alignment techniques including SFT and RLHF face fundamental challenges in ensuring reliable oversight. These methods rely on direct human assessment and become untenable when AI outputs exceed human cognitive thresholds. In response to this challenge, we explore two hypotheses: (1) critique of critique can be easier than critique itself, extending the widely-accepted observation that verification is easier than generation to the critique domain, as critique itself is a specialized form of generation; (2) this difficulty relationship is recursively held, suggesting that when direct evaluation is infeasible, performing high-order critiques (e.g., critique of critique of critique) offers a more tractable supervision pathway. To examine these hypotheses, we perform Human-Human, Human-AI, and AI-AI experiments across multiple tasks. Our results demonstrate encouraging evidence supporting these hypotheses and suggest that recursive self-critiquing is a promising direction for scalable oversight.




Abstract:The evolution of machine learning has increasingly prioritized the development of powerful models and more scalable supervision signals. However, the emergence of foundation models presents significant challenges in providing effective supervision signals necessary for further enhancing their capabilities. Consequently, there is an urgent need to explore novel supervision signals and technical approaches. In this paper, we propose verifier engineering, a novel post-training paradigm specifically designed for the era of foundation models. The core of verifier engineering involves leveraging a suite of automated verifiers to perform verification tasks and deliver meaningful feedback to foundation models. We systematically categorize the verifier engineering process into three essential stages: search, verify, and feedback, and provide a comprehensive review of state-of-the-art research developments within each stage. We believe that verifier engineering constitutes a fundamental pathway toward achieving Artificial General Intelligence.




Abstract:As post-training processes utilize increasingly large datasets and base models continue to grow in size, the computational demands and implementation challenges of existing algorithms are escalating significantly. In this paper, we propose modeling the changes at the logits level during post-training using a separate neural network (i.e., the value network). After training this network on a small base model using demonstrations, this network can be seamlessly integrated with other pre-trained models during inference, enables them to achieve similar capability enhancements. We systematically investigate the best practices for this paradigm in terms of pre-training weights and connection schemes. We demonstrate that the resulting value network has broad transferability across pre-trained models of different parameter sizes within the same family, models undergoing continuous pre-training within the same family, and models with different vocabularies across families. In certain cases, it can achieve performance comparable to full-parameter fine-tuning. Furthermore, we explore methods to enhance the transferability of the value model and prevent overfitting to the base model used during training.




Abstract:Reward Models (RMs) are crucial for aligning language models with human preferences. Currently, the evaluation of RMs depends on measuring accuracy against a validation set of manually annotated preference data. Although this method is straightforward and widely adopted, the relationship between RM accuracy and downstream policy performance remains under-explored. In this work, we conduct experiments in a synthetic setting to investigate how differences in RM measured by accuracy translate into gaps in optimized policy performance. Our findings reveal that while there is a weak positive correlation between accuracy and downstream performance, policies optimized towards RMs with similar accuracy can exhibit quite different performance. Moreover, we discover that the way of measuring accuracy significantly impacts its ability to predict the final policy performance. Through the lens of Regressional Goodhart's effect, we identify the existence of exogenous variables impacting the relationship between RM quality measured by accuracy and policy model capability. This underscores the inadequacy of relying solely on accuracy to reflect their impact on policy optimization.




Abstract:Hallucination occurs when large language models (LLMs) exhibit behavior that deviates from the boundaries of their knowledge during the response generation process. Previous learning-based methods focus on detecting knowledge boundaries and finetuning models with instance-level feedback, but they suffer from inaccurate signals due to off-policy data sampling and coarse-grained feedback. In this paper, we introduce \textit{\b{R}einforcement \b{L}earning \b{f}or \b{H}allucination} (RLFH), a fine-grained feedback-based online reinforcement learning method for hallucination mitigation. Unlike previous learning-based methods, RLFH enables LLMs to explore the boundaries of their internal knowledge and provide on-policy, fine-grained feedback on these explorations. To construct fine-grained feedback for learning reliable generation behavior, RLFH decomposes the outcomes of large models into atomic facts, provides statement-level evaluation signals, and traces back the signals to the tokens of the original responses. Finally, RLFH adopts the online reinforcement algorithm with these token-level rewards to adjust model behavior for hallucination mitigation. For effective on-policy optimization, RLFH also introduces an LLM-based fact assessment framework to verify the truthfulness and helpfulness of atomic facts without human intervention. Experiments on HotpotQA, SQuADv2, and Biography benchmarks demonstrate that RLFH can balance their usage of internal knowledge during the generation process to eliminate the hallucination behavior of LLMs.
Abstract:Alignment is the most critical step in building large language models (LLMs) that meet human needs. With the rapid development of LLMs gradually surpassing human capabilities, traditional alignment methods based on human-annotation are increasingly unable to meet the scalability demands. Therefore, there is an urgent need to explore new sources of automated alignment signals and technical approaches. In this paper, we systematically review the recently emerging methods of automated alignment, attempting to explore how to achieve effective, scalable, automated alignment once the capabilities of LLMs exceed those of humans. Specifically, we categorize existing automated alignment methods into 4 major categories based on the sources of alignment signals and discuss the current status and potential development of each category. Additionally, we explore the underlying mechanisms that enable automated alignment and discuss the essential factors that make automated alignment technologies feasible and effective from the fundamental role of alignment.




Abstract:The alignment problem in Large Language Models (LLMs) involves adapting them to the broad spectrum of human values. This requirement challenges existing alignment methods due to diversity of preferences and regulatory standards. This paper introduces a novel alignment paradigm, priority rule following, which defines rules as the primary control mechanism in each dialog, prioritizing them over user instructions. Our preliminary analysis reveals that even the advanced LLMs, such as GPT-4, exhibit shortcomings in understanding and prioritizing the rules. Therefore, we present PriorityDistill, a semi-automated approach for distilling priority following signals from LLM simulations to ensure robust rule integration and adherence. Our experiments show that this method not only effectively minimizes misalignments utilizing only one general rule but also adapts smoothly to various unseen rules, ensuring they are shielded from hijacking and that the model responds appropriately.