Deep neural networks often exhibit substantial disparities in class-wise accuracy, even when trained on class-balanced data—posing concerns for reliable deployment. While prior efforts have explored empirical remedies, a theoretical understanding of such performance disparities in classification remains limited. In this work, we present Margin Regularization for performance disparity Reduction ( $MR^2$ ), a theoretically principled regularization for classification by dynamically adjusting margins in both the logit and representation spaces. Our analysis establishes a novel margin-based, class-sensitive generalization bound that reveals how per-class feature variability contributes to error, motivating the use of larger margins for ''hard'' classes. Guided by this insight,$MR^2$ optimizes per-class logit margins proportional to feature spread and penalizes excessive representation margins to enhance intra-class compactness. Experiments on seven datasets—including ImageNet—and diverse pre-trained backbones (MAE, MoCov2, CLIP) demonstrate demonstrate that our $MR^2$ not only improves overall accuracy but also significantly boosts ''hard'' class performance without trading off ''easy'' classes, thus reducing the performance disparities. Codes are available in https://github.com/BeierZhu/MR2.
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Diffusion models (DMs) have recently become powerful priors for solving inverse problems. However, most work focuses on non-blind settings with known measurement operators, and existing DM-based blind solvers largely assume linear measurements, which limits practical applicability where operators are frequently nonlinear. We introduce CL-DPS, a contrastively trained likelihood for diffusion posterior sampling that requires no knowledge of the operator parameters at inference. To the best of our knowledge, CL-DPS is the first DM-based framework capable of solving blind nonlinear inverse problems. Our key idea is to train an auxiliary encoder offline, using a MoCo-style contrastive objective over randomized measurement operators, to learn a surrogate for the conditional likelihood \$p(\boldsymbol{y} | \boldsymbol{x}\_t)\$. During sampling, we inject the surrogate's gradient as a guidance term along the reverse diffusion trajectory, which enables posterior sampling without estimating or inverting the forward operator. We further employ overlapping patch-wise inference to preserve fine structure and a lightweight color-consistency head to stabilize color statistics. The guidance is sampler-agnostic and pairs well with modern solvers (e.g., DPM-Solver++ (2M)). Extensive experiments show that CL-DPS effectively handles challenging nonlinear cases, such as rotational and zoom deblurring, where prior DM-based methods fail, while remaining competitive on standard linear benchmarks. Code: \url{https://anonymous.4open.science/r/CL-DPS-4F5D}.
We study online adversarial imitation learning (AIL), where an agent learns from offline expert demonstrations and interacts with the environment online without access to rewards. Despite strong empirical results, the benefits of online interaction and the impact of stochasticity remain poorly understood. We address these gaps by introducing a model-based AIL algorithm (MB-AIL) and establish its horizon-free, second-order sample-complexity guarantees under general function approximations for both expert data and reward-free interactions. These second-order bounds provide an instance-dependent result that can scale with the variance of returns under the relevant policies and therefore tighten as the system approaches determinism. Together with second-order, information-theoretic lower bounds on a newly constructed hard-instance family, we show that MB-AIL attains minimax-optimal sample complexity for online interaction (up to logarithmic factors) with limited expert demonstrations and matches the lower bound for expert demonstrations in terms of the dependence on horizon $H$, precision $\epsilon$ and the policy variance $\sigma^2$. Experiments further validate our theoretical findings and demonstrate that a practical implementation of MB-AIL matches or surpasses the sample efficiency of existing methods.
We consider the problem of transfer learning in Neyman–Pearson classification, where the objective is to minimize the error w.r.t. a distribution $\mu_1$, subject to the constraint that the error w.r.t. a distribution $\mu_0$ remains below a prescribed threshold. While transfer learning has been extensively studied in traditional classification, transfer learning in imbalanced classification such as Neyman–Pearson classification has received much less attention. This setting poses unique challenges, as both types of errors must be simultaneously controlled. Existing works address only the case of distribution shift in $\mu_1$, whereas in many practical scenarios shifts may occur in both $\mu_0$ and $\mu_1$. We derive an adaptive procedure that not only guarantees improved Type-I and Type-II errors when the source is informative, but also automatically adapt to situations where the source is uninformative, thereby avoiding negative transfer. In addition to such statistical guarantees, the procedures is efficient, as shown via complementary computational guarantees.
Temporal graph neural networks (TGNN) extend graph neural networks to dynamic networks and have demonstrated strong predictive power. However, interpreting TGNN remains far less explored than their static-graph counterparts. This paper introduces TEMporal Graph eXplainer (TemGX), a training-free,post-hoc framework that help users interpret and understand TGNN behavior by discovering temporal subgraphs and their evolution that are responsible for TGNN output of interests.We introduce a class of explainability measures that extends influence maximization in terms of structural influence and time decay to model temporal influence. We formulate the explanation task as a constrained optimization problem, and propose fast algorithms to discover explanations with guarantees on their temporal explainability. Our experimental study verifies the effectiveness and efficiency of TemGX for TGNN explanation, compared with state-of-the-art explainers. We also showcase how TemGX supports inference queries for dynamic network analysis.
Large language model (LLM) agents show promise in automating machine learning (ML) engineering. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where human researchers often gain insights and contribute by sharing knowledge. To bridge this gap, we introduce MLE-Live, a live evaluation framework designed to assess an agent's ability to communicate with and leverage collective knowledge from a simulated Kaggle research community. Building on this framework, we propose CoMind, an multi-agent system designed to actively integrate external knowledge. CoMind employs an iterative parallel exploration mechanism, developing multiple solutions simultaneously to balance exploratory breadth with implementation depth. On 75 past Kaggle competitions within our MLE-Live framework, CoMind achieves a 36% medal rate, establishing a new state of the art. Critically, when deployed in eight live, ongoing competitions, CoMind outperforms 92.6% of human competitors on average, placing in the top 5% on three official leaderboards and the top 1\% on one.
Applications · Health
Alzheimer’s Disease (AD) is a progressive neurodegenerative disorder and a leading cause of dementia worldwide. Accurate diagnosis requires integrating diverse patient data modalities. With the rapid advancement of foundation models in neurobiology and medicine, integrating foundation models from various modalities has emerged as a promising yet underexplored direction for multi-modal AD diagnosis. A central challenge is enabling effective interaction among these models without disrupting the robust, modality-specific representations learned from large-scale pretraining. To address this, we propose a novel multi-modal framework for AD diagnosis that enables joint interaction among uni-modal foundation models through modality-anchored interaction. In this framework, one modality and its corresponding foundation model are designated as an anchor, while the remaining modalities serve as auxiliary sources of complementary information. To preserve the pre-trained representation space of the anchor model, we propose modality-aware Q-formers that selectively map auxiliary modality features into the anchor model’s feature space, enabling the anchor model to jointly process its own features together with the seamlessly integrated auxiliary features. We evaluate our method on AD diagnosis and progression prediction across four modalities: sMRI, fMRI, clinical records, and genetic data. Our framework consistently outperforms prior methods in two modality settings, and further demonstrates strong generalization to external datasets and other neurodegenerative diseases such as Parkinson’s disease.
Generative retrieval (GR) reformulates information retrieval (IR) by framing it as the generation of document identifiers (docids), thereby enabling end-to-end optimization and seamless integration with generative language models (LMs). Despite notable progress under supervised training, GR still struggles to generalize to zero-shot IR scenarios, which are prevalent in real-world applications. To tackle this challenge, we propose ZeroGR, a zero-shot generative retrieval framework that uses natural language instructions to extend GR across a wide range of IR tasks. Specifically, ZeroGR is composed of three key components: (i) an LM-based docid generator that unifies heterogeneous documents (e.g., text, tables, code) into semantically meaningful docids; (ii) an instruction-tuned query generator that generates diverse types of queries from natural language task descriptions to enhance corpus indexing; and (iii) a reverse annealing decoding strategy to balance precision and recall during docid generation. Furthermore, we introduce OpenInstIR, the most diverse open-source instructed retrieval dataset. We investigate the impact of instruction fine-tuning scale and find that performance consistently improves as the number of IR tasks encountered during training increases. Extensive experiments on the BEIR and MAIR benchmarks demonstrate that \textsc{ZeroGR} achieves competitive performance across a wide range of retrieval tasks, establishing a new state-of-the-art among GR methods. Our code is available at https://github.com/sunnweiwei/ZeroGR.
Reinforcement Learning · Multi-agent
Sequential social dilemmas pose a significant challenge in the field of multi-agent reinforcement learning (MARL), requiring environments that accurately reflect the tension between individual and collective interests. Previous benchmarks and environments, such as Melting Pot, provide an evaluation protocol that measures generalization to new social partners in various test scenarios. However, running reinforcement learning algorithms in traditional environments requires substantial computational resources. In this paper, we introduce SocialJax, a suite of sequential social dilemma environments and algorithms implemented in JAX. JAX is a high-performance numerical computing library for Python that enables significant improvements in operational efficiency. Our experiments demonstrate that the SocialJax training pipeline achieves at least 50\texttimes{} speed-up in real-time performance compared to Melting Pot’s RLlib baselines. Additionally, we validate the effectiveness of baseline algorithms within SocialJax environments. Finally, we use Schelling diagrams to verify the social dilemma properties of these environments, ensuring that they accurately capture the dynamics of social dilemmas.
Reinforcement Learning · Deep RL
The challenge of coalition formation games lies in efficiently navigating the exponentially large space of possible coalitions to identify the optimal partition. While existing approaches to solve coalition formation games either provide optimal solutions with limited scalability or approximate solutions without quality guarantees, we propose a novel scalable and sample-efficient approximation method based on deep reinforcement learning. Specifically, we model the coalition formation problem as a finite Markov decision process and use deep neural network to approximate optimal coalition structures within the full and abstracted coalition space. Moreover, our method is applicable to bi-level optimization problems in which coalition values are determined by the policies of individual agents at a lower decision-making level. This way, our approach facilitates dynamic, adaptive adjustments to coalition value assessments as they evolve over time. Empirical results demonstrate our algorithm's effectiveness in approximating optimal coalition structures in both normal-form and sequential mixed-motive games.
The generalization of learning-based high dynamic range (HDR) fusion is often limited by the availability of training data, as collecting large-scale HDR images from dynamic scenes is both costly and technically challenging. To address these challenges, we propose S2R-HDR, the first large-scale high-quality synthetic dataset for HDR fusion, with 24,000 HDR samples. Using Unreal Engine 5, we design a diverse set of realistic HDR scenes that encompass various dynamic elements, motion types, high dynamic range scenes, and lighting. Additionally, we develop an efficient rendering pipeline to generate realistic HDR images. To further mitigate the domain gap between synthetic and real-world data, we introduce S2R-Adapter, a domain adaptation designed to bridge this gap and enhance the generalization ability of models. Experimental results on real-world datasets demonstrate that our approach achieves state-of-the-art HDR fusion performance. Dataset and code are available at https://openimaginglab.github.io/S2R-HDR.
Reinforcement Learning · Online
Exogenous MDPs (Exo-MDPs) capture sequential decision-making where uncertainty comes solely from exogenous inputs that evolve independently of the learner’s actions. This structure is especially common in operations research applications such as inventory control, energy storage, and resource allocation, where exogenous randomness (e.g., demand, arrivals, or prices) drives system behavior. Despite decades of empirical evidence that greedy, exploitation-only methods work remarkably well in these settings, theory has lagged behind: all existing regret guarantees for Exo-MDPs rely on explicit exploration or tabular assumptions. We show that exploration is unnecessary. We propose Pure Exploitation Learning ($\texttt{PEL}$) and prove the first general finite-sample regret bounds for exploitation-only algorithms in Exo-MDPs. In the tabular case, PEL achieves $\widetilde{O}(H^2|\Xi|\sqrt{K})$. For large, continuous endogenous state spaces, we introduce $\texttt{LSVI-PE}$, a simple linear-approximation method whose regret is polynomial in the feature dimension, exogenous state space, and horizon, independent of the endogenous state and action spaces. Our analysis introduces two new tools: counterfactual trajectories and Bellman-closed feature transport, which together allow greedy policies to have accurate value estimates without optimism. Experiments on synthetic and resource-management tasks show $\texttt{PEL}$ consistently outperforming baselines. Overall, our results overturn the conventional wisdom that exploration is required, demonstrating that in Exo-MDPs, pure exploitation is enough.
A meaningful text can be hidden inside another, completely different yet still coherent and plausible, text of the same length. For example, a tweet that celebrates a political leader could hide a tweet containing a harsh critique against the same leader, or an ordinary product review could conceal a secret manuscript. This uncanny possibility is now within reach thanks to Large Language Models; in this paper we present *Calgacus*, a simple and efficient protocol to achieve it. We show that even modest 8‑billion‑parameter open‑source LLMs are sufficient to obtain high‑quality results, and a message as long as this abstract can be encoded and decoded locally on a laptop in seconds. The existence of such a protocol demonstrates a radical decoupling of text from authorial intent, further eroding trust in written communication, already shaken by the rise of LLM chatbots. We illustrate this with a concrete scenario: a company could covertly deploy an unfiltered LLM by encoding its answers within the compliant responses of a safe model. This possibility raises urgent questions for AI safety and challenges our understanding of what it means for a Large Language Model to know something.
Recently, significant progress has been made in developing reasoning-capable Large Language Models (LLMs) through long Chain-of-Thought (CoT) techniques. However, this long-CoT reasoning process imposes substantial memory overhead due to the large Key-Value (KV) Cache memory overhead. Post-training KV Cache quantization has emerged as a promising compression technique and has been extensively studied in short-context scenarios. However, directly applying existing methods to long-CoT LLMs causes significant performance degradation due to the following two reasons: (1) Large cumulative error: Existing methods fail to adequately leverage available memory, and they directly quantize the KV Cache during each decoding step, leading to large cumulative quantization error. (2) Short-context calibration: Due to Rotary Positional Embedding (RoPE), the use of short-context data during calibration fails to account for the distribution of less frequent channels in the Key Cache, resulting in performance loss. We propose Progressive Mixed-Precision KV Cache Quantization (PM-KVQ) for long-CoT LLMs to address the above issues in two folds: (1) To reduce cumulative error, we design a progressive quantization strategy to gradually lower the bit-width of KV Cache in each block. Then, we propose block-wise memory allocation to assign a higher bit-width to more sensitive transformer blocks. (2) To increase the calibration length without additional overhead, we propose a new calibration strategy with positional interpolation that leverages short calibration data with positional interpolation to approximate the data distribution of long-context data. Extensive experiments on 7B–70B long-CoT LLMs show that PM-KVQ improves reasoning benchmark performance by up to 8% over SOTA baselines under the same memory budget and achieves 2.73–5.18$\times$ throughput over the original 16-bit LLMs. Our code is available at https://github.com/thu-nics/PM-KVQ.
We revisit Group Relative Policy Optimization (GRPO) in both on-policy and off-policy optimization regimes. Our motivation comes from recent work on off-policy Proximal Policy Optimization (PPO), which improves training stability, sampling efficiency, and memory usage. In addition, a recent analysis of GRPO suggests that estimating the advantage function with off-policy samples could be beneficial. Building on these observations, we adapt GRPO to the off-policy setting. We show that both on-policy and off-policy GRPO objectives yield an improvement in the reward. This result motivates the use of clipped surrogate objectives in the off-policy version of GRPO. We then compare the empirical performance of reinforcement learning with verifiable rewards in post-training using both GRPO variants. Our results show that off-policy GRPO either significantly outperforms or performs on par with its on-policy counterpart.
Deep Reinforcement Learning has achieved remarkable progress in solving NP-hard scheduling problems. However, existing methods primarily focus on optimizing average performance over training instances, overlooking the core objective of solving each individual instance with high quality. While several instance-wise adaptation mechanisms have been proposed, they are test-time approaches only and cannot share knowledge across different adaptation tasks. Moreover, they largely rely on gradient-based optimization, which could be ineffective in dealing with combinatorial optimization problems. We address the above issues by proposing an instance-wise meta-learning framework. It trains a meta model to acquire a generalizable initialization that effectively guides per-instance adaptation during inference, and overcomes the limitations of gradient-based methods by leveraging a derivative-free optimization scheme that is fully GPU parallelizable. Experimental results on representative scheduling problems demonstrate that our method consistently outperforms existing learning-based scheduling methods and instance-wise adaptation mechanisms under various task sizes and distributions.
Applications · Language, Speech and Dialog
Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow tasks, which generalize poorly beyond development settings and lead to brittleness with new tools and unseen workflows. Because code execution reflects many structural patterns of real-world workflows, we use coding problems as a structured substrate to build tool-use agent training environments with diverse task configurations. To this end, we introduce **CodeGym**, a scalable framework that synthesizes diverse, verifiable, and controllable multi-turn tool-use environments for agent RL, enabling LLM agents to explore and master various workflows actively. CodeGym converts static coding problems into interactive environments by extracting atomic functions or logic into callable tools, yielding verifiable tasks that span various tool-execution workflows. Models of varying sizes and chain-of-thought configurations trained in CodeGym exhibit consistent out-of-distribution generalizability; for example, Qwen2.5-32B-Instruct achieves an absolute accuracy gain of 8.7 points on the OOD benchmark $\tau$-Bench. These results highlight CodeGym as a step toward scalable general-purpose RL environments for training tool-use behaviors that align with real-world agent workflows. Our code is publicly available at https://github.com/StigLidu/CodeGym.
Large Language Models (LLMs) exhibit impressive capabilities yet suffer from sensitivity to slight input context variations, hampering reliability. Conventional metrics like accuracy and perplexity fail to assess local prediction robustness, as normalized output probabilities can obscure the underlying resilience of an LLM's internal state to perturbations. We introduce the Token Constraint Bound ($\delta_{\mathrm{TCB}}$), a novel metric that quantifies the maximum internal state perturbation an LLM can withstand before its dominant next-token prediction significantly changes. Intrinsically linked to output embedding space geometry, $\delta_{\mathrm{TCB}}$ provides insights into the stability of the model's internal predictive commitment. Our experiments show $\delta_{\mathrm{TCB}}$ correlates with effective prompt engineering and uncovers critical prediction instabilities missed by perplexity during in-context learning and text generation. $\delta_{\mathrm{TCB}}$ offers a principled, complementary approach to analyze and potentially improve the contextual stability of LLM predictions.
Recent advancements in multimodal slow-thinking systems have demonstrated remarkable performance across various visual reasoning tasks. However, their capabilities in text-rich image reasoning tasks remain understudied due to the absence of a dedicated and systematic benchmark. To address this gap, we propose OCR-Reasoning, a novel benchmark designed to systematically assess Multimodal Large Language Models on text-rich image reasoning tasks. Specifically, OCR-Reasoning comprises 1,069 human-annotated examples spanning 6 core reasoning abilities and 18 practical reasoning tasks in text-rich visual scenarios. Unlike existing text-rich image understanding benchmarks that only provide a final answer, this benchmark additionally provides a detailed step-by-step reasoning process. This dual annotation enables the evaluation of both the models' final answers and their reasoning processes, thereby offering a holistic assessment of text-rich reasoning capabilities. By leveraging this benchmark, we conducted a comprehensive evaluation of the latest MLLMs. Our results demonstrate that even the most advanced MLLMs exhibit substantial difficulties in text-rich image reasoning tasks, with none achieving an accuracy above 50\% on our benchmark, indicating that the challenges of text-rich image reasoning are an urgent issue to be addressed. The benchmark and evaluation scripts are available at https://github.com/SCUT-DLVCLab/OCR-Reasoning.
Recent studies have demonstrated that learning a meaningful internal represen- tation can accelerate generative training. However, existing approaches necessi- tate to either introduce an off-the-shelf external representation task or rely on a large-scale, pre-trained external representation encoder to provide representation guidance during the training process. In this study, we posit that the unique dis- criminative process inherent to diffusion transformers enables them to offer such guidance without requiring external representation components. We propose Self- Representation Alignment (SRA), a simple yet effective method that obtains rep- resentation guidance using the internal representations of learned diffusion trans- former. SRA aligns the latent representation of the diffusion transformer in the earlier layer conditioned on higher noise to that in the later layer conditioned on lower noise to progressively enhance the overall representation learning during only the training process. Experimental results indicate that applying SRA to DiTs and SiTs yields consistent performance improvements, and largely outper- forms approaches relying on auxiliary representation task. Our approach achieves performance comparable to methods that are dependent on an external pre-trained representation encoder, which demonstrates the feasibility of acceleration with representation alignment in diffusion transformers themselves.