Machine learning (ML) has demonstrated considerable potential in supporting model design and optimization for combinatorial optimization (CO) problems. However, much of the progress to date has been evaluated on small-scale, synthetic datasets, raising concerns about the practical effectiveness of ML-based solvers in real-world, large-scale CO scenarios. Additionally, many existing CO benchmarks lack sufficient training data, limiting their utility for evaluating data-driven approaches. To address these limitations, we introduce FrontierCO, a comprehensive benchmark that covers eight canonical CO problem types and evaluates 16 representative ML-based solvers--including graph neural networks and large language model (LLM) agents. FrontierCO features challenging instances drawn from industrial applications and frontier CO research, offering both realistic problem difficulty and abundant training data. Our empirical results provide critical insights into the strengths and limitations of current ML methods, helping to guide more robust and practically relevant advances at the intersection of machine learning and combinatorial optimization. Our data is available at https://huggingface.co/datasets/CO-Bench/FrontierCO.
In this work, we introduce LLaDA-V, a purely diffusion-based Multimodal Large Language Model (MLLM) that integrates visual instruction tuning with masked diffusion models, representing a departure from the autoregressive paradigms dominant in current multimodal approaches. Built upon LLaDA, a representative large language diffusion model, LLaDA-V incorporates a vision encoder and MLP connector that projects visual features into the language embedding space, enabling effective multimodal alignment. Our empirical investigation reveals several intriguing results: First, LLaDA-V demonstrates promising multimodal performance despite its language model being weaker on purely textual tasks than counterparts like LLaMA3-8B and Qwen2-7B. When trained on the same instruction data, LLaDA-V is highly competitive to LLaMA3-V across multimodal tasks with better data scalability. It also narrows the performance gap to Qwen2-VL, suggesting the effectiveness of its architecture for multimodal tasks. Second, LLaDA-V achieves state-of-the-art performance in multimodal understanding compared to existing hybrid autoregressive-diffusion and purely diffusion-based MLLMs. Our findings suggest that large language diffusion models show promise in multimodal contexts and warrant further investigation in future research. Project page and codes: https://ml-gsai.github.io/LLaDA-V-demo/.
Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but lack the structural knowledge essential for many biological applications. To address this, we integrate structural insights from pre-trained protein graph neural networks (pGNNs) into pLMs through a latent-level contrastive learning task. This task aligns residue representations from pLMs with those from pGNNs across multiple proteins, enriching pLMs with inter-protein structural knowledge. Additionally, we incorporate a physical-level task that infuses intra-protein structural knowledge by optimizing pLMs to predict structural tokens. The proposed dual-task framework effectively incorporates both inter-protein and intra-protein structural knowledge into pLMs. Given the variability in the quality of protein structures in PDB, we further introduce a residue loss selection module, which uses a small model trained on high-quality structures to select reliable yet challenging residue losses for the pLM to learn. Applying our structure alignment method to the state-of-the-art ESM2 and AMPLIFY results in notable performance gains across a wide range of tasks, including a 12.7% increase in ESM2 contact prediction. The data, code, and resulting SaESM2 and SaAMPLIFY models will be released on Hugging Face.
The growing complexity of power systems has made accurate load forecasting more important than ever. An increasing number of advanced load forecasting methods have been developed. However, the static design of current methods offers no mechanism for human-model interaction. As the primary users of forecasting models, system operators often find it difficult to understand and apply these advanced models, which typically requires expertise in artificial intelligence (AI). This also prevents them from incorporating their experience and real-world contextual understanding into the forecasting process. Recent breakthroughs in large language models (LLMs) offer a new opportunity to address this issue. By leveraging their natural language understanding and reasoning capabilities, we propose an LLM-based multi-agent collaboration framework to bridge the gap between human operators and forecasting models. A set of specialized agents is designed to perform different tasks in the forecasting workflow and collaborate via a dedicated communication mechanism. This framework embeds interactive mechanisms throughout the load forecasting pipeline, reducing the technical threshold for non-expert users and enabling the integration of human experience. Our experiments demonstrate that the interactive load forecasting accuracy can be significantly improved when users provide proper insight in key stages. Our cost analysis shows that the framework remains affordable, making it practical for real-world deployment.
We address the problem of incremental sequence classification, where predictions are updated as new elements in the sequence are revealed. Drawing on temporal-difference learning from reinforcement learning, we identify a temporal-consistency condition that successive predictions should satisfy. We leverage this condition to develop a novel loss function for training incremental sequence classifiers. Through a concrete example, we demonstrate that optimizing this loss can offer substantial gains in data efficiency. We apply our method to text classification tasks and show that it improves predictive accuracy over competing approaches on several benchmark datasets. We further evaluate our approach on the task of verifying large language model generations for correctness in grade-school math problems. Our results show that models trained with our method are better able to distinguish promising generations from unpromising ones after observing only a few tokens.
How to design reinforcement learning (RL) tasks that effectively unleash the reasoning capability of large language models (LLMs) remains an open question. Existing RL tasks (e.g., math, programming, and constructing reasoning tasks) suffer from three key limitations: (1) Scalability. They rely heavily on human annotation or expensive LLM synthesis to generate sufficient training data. (2) Verifiability. LLMs' outputs are hard to verify automatically and reliably. (3) Controllable Difficulty. Most tasks lack fine-grained difficulty control, making it hard to train LLMs to develop reasoning ability from easy to hard. To address these limitations, we propose Saturn, a SAT-based RL framework that uses Boolean Satisfiability (SAT) problems to train and evaluate LLM reasoning. Saturn enables scalable task construction, rule-based verification, and precise difficulty control. Saturn designs a curriculum learning pipeline that continuously improves LLMs' reasoning capability by constructing SAT tasks of increasing difficulty and training LLMs from easy to hard. To ensure stable training, we design a principled mechanism to control difficulty transitions. We introduce Saturn-2.6k, a dataset of 2,660 SAT problems with varying difficulty. It supports the evaluation of how LLM reasoning changes with problem difficulty. We apply Saturn to DeepSeek-R1-Distill-Qwen and obtain Saturn-1.5B and Saturn-7B. We achieve several notable results: (1) On SAT problems, Saturn-1.5B and Saturn-7B achieve average pass@3 improvements of +14.0 and +28.1, respectively. (2) On math and programming tasks, Saturn-1.5B and Saturn-7B improve average scores by +4.9 and +1.8 on benchmarks (e.g., AIME, LiveCodeBench). (3) Compared to the state-of-the-art (SOTA) approach in constructing RL tasks, Saturn achieves further improvements of +8.8%. We release the source code, data, and models to support future research.
Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, in this paper, we propose ChemMLLM, a unified chemical multimodal large language model for molecule understanding and generation. Also, we design five multimodal tasks across text, molecular SMILES strings, and image, and curate the datasets. We benchmark ChemMLLM against a range of general leading MLLMs and Chemical LLMs on these tasks. Experimental results show that ChemMLLM achieves superior performance across all evaluated tasks. For example, in molecule image optimization task, ChemMLLM outperforms the best baseline (GPT-4o) by 118.9\% (4.27 vs 1.95 property improvement). The code is publicly available at https://github.com/bbsbz/ChemMLLM.git.
Choice of training data distribution greatly influences model behavior. Yet, in large-scale settings, precisely characterizing how changes in training data affects predictions is often difficult due to model training costs. Current practice is to instead extrapolate from scaled down, inexpensive-to-train proxy models. However, changes in data do not influence smaller and larger models identically. Therefore, understanding how choice of data affects large-scale models raises the question: how does training data distribution influence model behavior across compute scale? We find that small- and large-scale language model predictions (generally) do highly correlate across choice of training data. Equipped with these findings, we characterize how proxy scale affects effectiveness in two downstream proxy model applications: data attribution and dataset selection.
Large Language Models (LLMs) have achieved remarkable success in complex reasoning tasks, but their inference remains computationally inefficient. We observe a common failure mode in many prevalent LLMs, overthinking, where models generate verbose and tangential reasoning traces even for simple queries. Recent works have tried to mitigate this by enforcing fixed token budgets, however, this can lead to underthinking, especially on harder problems. Through empirical analysis, we identify that this inefficiency often stems from unclear problem-solving strategies. To formalize this, we develop a theoretical model, BBAM (Bayesian Budget Allocation Model), which models reasoning as a sequence of sub-questions with varying uncertainty, and introduce the $E^3$ metric to capture the trade-off between correctness and computation efficiency. Building on theoretical results from BBAM, we propose Plan-and-Budget, a model-agnostic, test-time framework that decomposes complex queries into sub-questions and allocates token budgets based on estimated complexity using adaptive scheduling. Plan-and-Budget improves reasoning efficiency across a range of tasks and models, achieving up to +70% accuracy gains, -39% token reduction, and +187.5% improvement in $E^3$. Notably, it elevates a smaller model (DS-Qwen-32B) to match the efficiency of a larger model (DS-LLaMA-70B)-demonstrating Plan-and-Budget's ability to close performance gaps without retraining. Our code is available at anonymous.4open.science/r/P-and-B-6513/.
Sparse autoencoders (SAEs) are used to decompose neural network activations into human-interpretable features. Typically, features learned by a single SAE are used for downstream applications. However, it has recently been shown that SAEs trained with different initial weights can learn different features, demonstrating that a single SAE captures only a limited subset of features that can be extracted from the activation space. Motivated by this limitation, we propose to ensemble multiple SAEs through naive bagging and boosting. Specifically, SAEs trained with different weight initializations are ensembled in naive bagging, whereas SAEs sequentially trained to minimize the residual error are ensembled in boosting. We evaluate our ensemble approaches with three settings of language models and SAE architectures. Our empirical results demonstrate that ensembling SAEs can improve the reconstruction of language model activations, diversity of features, and SAE stability. Furthermore, ensembling SAEs performs better than applying a single SAE on downstream tasks such as concept detection and spurious correlation removal, showing improved practical utility.
Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform intervention-based reasoning to infer cause-and-effect. Addressing this requires overcoming key challenges: designing safe, controllable agentic frameworks; developing rigorous benchmarks for causal evaluation; integrating heterogeneous data sources; and synergistically combining LLMs with structured knowledge (KGs) and formal causal inference tools. Such agents could unlock transformative opportunities, including accelerating drug discovery through automated hypothesis generation and simulation, enabling personalized medicine through patient-specific causal models. This research agenda aims to foster interdisciplinary efforts, bridging causal concepts and foundation models to develop reliable AI partners for biomedical progress.
Recent advances in Large Language Models (LLMs) have shown promise in function-level code generation, yet repository-level software engineering tasks remain challenging. Current solutions predominantly rely on proprietary LLM agents, which introduce unpredictability and limit accessibility, raising concerns about data privacy and model customization. This paper investigates whether open-source LLMs can effectively address repository-level tasks without requiring agent-based approaches. We demonstrate this is possible by enabling LLMs to comprehend functions and files within codebases through their semantic information and structural dependencies. To this end, we introduce Code Graph Models (CGMs), which integrate repository code graph structures into the LLM's attention mechanism and map node attributes to the LLM's input space using a specialized adapter. When combined with an agentless graph RAG framework, our approach achieves a 43.00% resolution rate on the SWE-bench Lite benchmark using the open-source Qwen2.5-72B model. This performance ranks first among open weight models, second among methods with open-source systems, and eighth overall, surpassing the previous best open-source model-based method by 12.33%.
Current movie dubbing technology can produce the desired speech using a reference voice and input video, maintaining perfect synchronization with the visuals while effectively conveying the intended emotions. However, crucial aspects of movie dubbing, including adaptation to various dubbing styles, effective handling of dialogue, narration, and monologues, as well as consideration of subtle details such as speaker age and gender, remain insufficiently explored. To tackle these challenges, we introduce a multi-modal generative framework. First, it utilizes a multi-modal large vision-language model (VLM) to analyze visual inputs, enabling the recognition of dubbing types and fine-grained attributes. Second, it produces high-quality dubbing using large speech generation models, guided by multi-modal inputs. Additionally, a movie dubbing dataset with annotations for dubbing types and subtle details is constructed to enhance movie understanding and improve dubbing quality for the proposed multi-modal framework. Experimental results across multiple benchmark datasets show superior performance compared to state-of-the-art (SOTA) methods. In details, the LSE-D, SPK-SIM, EMO-SIM, and MCD exhibit improvements of up to 1.09%, 8.80%, 19.08%, and 18.74%, respectively.
Video quality assessment (VQA) is a challenging research topic with broad applications. Effective VQA necessitates sensitivity to pixel-level distortions and a comprehensive understanding of video context to accurately determine the perceptual impact of distortions. Traditional hand-crafted and learning-based VQA models mainly focus on pixel-level distortions and lack contextual understanding, while recent LLM-based models struggle with sensitivity to small distortions or handle quality scoring and description as separate tasks. To address these shortcomings, we introduce CP-LLM: a Context and Pixel aware Large Language Model. CP-LLM is a novel multimodal LLM architecture featuring dual vision encoders designed to independently analyze perceptual quality at both high-level (video context) and low-level (pixel distortion) granularity, along with a language decoder subsequently reasons about the interplay between these aspects. This design enables CP-LLM to simultaneously produce robust quality scores and interpretable quality descriptions, with enhanced sensitivity to pixel distortions (e.g. compression artifacts). The model is trained via a multi-task pipeline optimizing for score prediction, description generation, and pairwise comparisons. Experiment results demonstrate that CP-LLM achieves state-of-the-art cross-dataset performance on established VQA benchmarks and superior robustness to pixel distortions, confirming its efficacy for comprehensive and practical video quality assessment in real-world scenarios.
Fine-tuning-as-a-service, while commercially successful for Large Language Model (LLM) providers, exposes models to harmful fine-tuning attacks. As a widely explored defense paradigm against such attacks, unlearning attempts to remove malicious knowledge from LLMs, thereby essentially preventing them from being used to perform malicious tasks. However, we highlight a critical flaw: the powerful general adaptability of LLMs allows them to easily bypass selective unlearning by rapidly relearning or repurposing their capabilities for harmful tasks. To address this fundamental limitation, we propose a paradigm shift: instead of selective removal, we advocate for inducing model collapse--effectively forcing the model to "unlearn everything"--specifically in response to updates characteristic of malicious adaptation. This collapse directly neutralizes the very general capabilities that attackers exploit, tackling the core issue unaddressed by selective unlearning. We introduce the Collapse Trap (CTRAP) as a practical mechanism to implement this concept conditionally. Embedded during alignment, CTRAP pre-configures the model's reaction to subsequent fine-tuning dynamics. If updates during fine-tuning constitute a persistent attempt to reverse safety alignment, the pre-configured trap triggers a progressive degradation of the model's core language modeling abilities, ultimately rendering it inert and useless for the attacker. Crucially, this collapse mechanism remains dormant during benign fine-tuning, ensuring the model's utility and general capabilities are preserved for legitimate users. Extensive empirical results demonstrate that CTRAP effectively counters harmful fine-tuning risks across various LLMs and attack settings, while maintaining high performance in benign scenarios. Our code is available at https://anonymous.4open.science/r/CTRAP.
The widespread adoption of Language Models (LMs) across industries is driving interest in deploying these services across the computing continuum, from the cloud to the network edge. This shift aims to reduce costs, lower latency, and improve reliability and privacy. Small Language Models (SLMs), enabled by advances in model compression, are central to this shift, offering a path to on-device inference on resource-constrained edge platforms. This work examines the interplay between edge and cloud deployments, starting from detailed benchmarking of SLM capabilities on single edge devices, and extending to distributed edge clusters. We identify scenarios where edge inference offers comparable performance with lower costs, and others where cloud fallback becomes essential due to limits in scalability or model capacity. Rather than proposing a one-size-fits-all solution, we present platform-level comparisons and design insights for building efficient, adaptive LM inference systems across heterogeneous environments.
We investigate the impacts of NLP research published in top-tier conferences (i.e., ACL, EMNLP, and NAACL) from 1979 to 2024. By analyzing citations from research articles and external sources such as patents, media, and policy documents, we examine how different NLP topics are consumed both within the academic community and by the broader public. Our findings reveal that language modeling has the widest internal and external influence, while linguistic foundations have lower impacts. We also observe that internal and external impacts generally align, but topics like ethics, bias, and fairness show significant attention in policy documents with much fewer academic citations. Additionally, external domains exhibit distinct preferences, with patents focusing on practical NLP applications and media and policy documents engaging more with the societal implications of NLP models.
The rapid advancement of language models has demonstrated the potential of artificial intelligence in the healthcare industry. However, small language models struggle with specialized domains in low-resource languages like Persian. While numerous medical-domain websites exist in Persian, no curated dataset or corpus has been available making ours the first of its kind. This study explores the enhancement of medical knowledge in a small language model by leveraging accessible online data, including a crawled corpus from medical magazines and a dataset of real doctor-patient QA pairs. We fine-tuned a baseline model using our curated data to improve its medical knowledge. Benchmark evaluations demonstrate that the fine-tuned model achieves improved accuracy in medical question answering and provides better responses compared to its baseline. This work highlights the potential of leveraging open-access online data to enrich small language models in medical fields, providing a novel solution for Persian medical AI applications suitable for resource-constrained environments.
Recently, large language model (LLM)-based agents have achieved significant success in interactive environments, attracting significant academic and industrial attention. Despite these advancements, current research predominantly focuses on English scenarios. In reality, there are over 7,000 languages worldwide, all of which demand access to comparable agentic services. Nevertheless, the development of language agents remains inadequate for meeting the diverse requirements of multilingual agentic applications. To fill this gap, we introduce X-WebAgentBench, a novel multilingual agent benchmark in an interactive web environment, which evaluates the planning and interaction performance of language agents across multiple languages, thereby contributing to the advancement of global agent intelligence. Additionally, we assess the performance of various LLMs and cross-lingual alignment methods, examining their effectiveness in enhancing agents. Our findings reveal that even advanced models like GPT-4o, when combined with cross-lingual techniques, fail to achieve satisfactory results. We hope that X-WebAgentBench can serve as a valuable benchmark for multilingual agent scenario in real-world applications.
A recently proposed method enables efficient estimation of the KL divergence between language models, including models with different architectures, by assigning coordinates based on log-likelihood vectors. To better understand the behavior of this metric, we systematically evaluate KL divergence across a wide range of conditions using publicly available language models. Our analysis covers comparisons between pretraining checkpoints, fine-tuned and base models, and layers via the logit lens. We find that trajectories of language models, as measured by KL divergence, exhibit a spiral structure during pretraining and thread-like progressions across layers. Furthermore, we show that, in terms of diffusion exponents, model trajectories in the log-likelihood space are more constrained than those in weight space.