OpenRaiser/Intern-Atlas huggingface dataset:
Chemical Language Model Linker: blending text and molecules with modular adapters
Venue: arXiv cs.LG 2025
Year: 2025

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening to find molecules with desired properties to directly generating those molecules. However, multi-modal models combining text and molecules are often trained from scratch, without leveraging existing high-quality pretrained models. Training from scratch consumes more computational resources and prohibits model scaling. In contrast, we propose a lightweight adapter-based strategy named Chemical Language Model Linker (ChemLML). ChemLML blends the two single domain models and obtains conditional molecular generation from text descriptions while still operating in the specialized embedding spaces of the molecular domain. ChemLML can tailor diverse pretrained text models for molecule generation by training relatively few adapter parameters. We find that the choice of molecular representation used within ChemLML, SMILES versus SELFIES, has a strong influence on conditional molecular generation performance. SMILES is often preferable despite not guaranteeing valid molecules. We raise issues in using the entire PubChem dataset of molecules and their associated descriptions for evaluating molecule generation and provide a filtered version of the dataset as a generation test set. To demonstrate how ChemLML could be used in practice, we generate candidate protein inhibitors and use docking to assess their quality and also generate candidate membrane permeable molecules.
Generative AI in Health Economics and Outcomes Research: A Taxonomy of Key Definitions and Emerging Applications, an ISPOR Working Group Report
Venue: arXiv cs.LG 2025
Year: 2025

Objective: This article offers a taxonomy of generative artificial intelligence (AI) for health economics and outcomes research (HEOR), explores its emerging applications, and outlines methods to enhance the accuracy and reliability of AI-generated outputs. Methods: The review defines foundational generative AI concepts and highlights current HEOR applications, including systematic literature reviews, health economic modeling, real-world evidence generation, and dossier development. Approaches such as prompt engineering (zero-shot, few-shot, chain-of-thought, persona pattern prompting), retrieval-augmented generation, model fine-tuning, and the use of domain-specific models are introduced to improve AI accuracy and reliability. Results: Generative AI shows significant potential in HEOR, enhancing efficiency, productivity, and offering novel solutions to complex challenges. Foundation models are promising in automating complex tasks, though challenges remain in scientific reliability, bias, interpretability, and workflow integration. The article discusses strategies to improve the accuracy of these AI tools. Conclusion: Generative AI could transform HEOR by increasing efficiency and accuracy across various applications. However, its full potential can only be realized by building HEOR expertise and addressing the limitations of current AI technologies. As AI evolves, ongoing research and innovation will shape its future role in the field.
Improving Model Evaluation using SMART Filtering of Benchmark Datasets
Venue: arXiv cs.CL 2025
Year: 2025

One of the most challenging problems facing NLP today is evaluation. Some of the most pressing issues pertain to benchmark saturation, data contamination, and diversity in the quality of test examples. To address these concerns, we propose Selection Methodology for Accurate, Reduced, and Targeted (SMART) filtering, a novel approach to select a high-quality subset of examples from existing benchmark datasets by systematically removing less informative and less challenging examples. Our approach applies three filtering criteria, removing (i) easy examples, (ii) data-contaminated examples, and (iii) examples that are similar to each other based on distance in an embedding space. We demonstrate the effectiveness of SMART on three multiple choice QA datasets, where our methodology increases efficiency by reducing dataset size by 48\% on average, while increasing Pearson correlation with rankings from ChatBot Arena, a more open-ended human evaluation setting. Our method enables us to be more efficient, whether using SMART to make new benchmarks more challenging or to revitalize older datasets, while still preserving the relative model rankings.
Q-Distribution guided Q-learning for offline reinforcement learning: Uncertainty penalized Q-value via consistency model
Venue: arXiv cs.LG 2025
Year: 2025

``Distribution shift'' is the main obstacle to the success of offline reinforcement learning. A learning policy may take actions beyond the behavior policy's knowledge, referred to as Out-of-Distribution (OOD) actions. The Q-values for these OOD actions can be easily overestimated. As a result, the learning policy is biased by using incorrect Q-value estimates. One common approach to avoid Q-value overestimation is to make a pessimistic adjustment. Our key idea is to penalize the Q-values of OOD actions associated with high uncertainty. In this work, we propose Q-Distribution Guided Q-Learning (QDQ), which applies a pessimistic adjustment to Q-values in OOD regions based on uncertainty estimation. This uncertainty measure relies on the conditional Q-value distribution, learned through a high-fidelity and efficient consistency model. Additionally, to prevent overly conservative estimates, we introduce an uncertainty-aware optimization objective for updating the Q-value function. The proposed QDQ demonstrates solid theoretical guarantees for the accuracy of Q-value distribution learning and uncertainty measurement, as well as the performance of the learning policy. QDQ consistently shows strong performance on the D4RL benchmark and achieves significant improvements across many tasks.
Vector Quantization Prompting for Continual Learning
Venue: arXiv cs.LG 2025
Year: 2025

Continual learning requires to overcome catastrophic forgetting when training a single model on a sequence of tasks. Recent top-performing approaches are prompt-based methods that utilize a set of learnable parameters (i.e., prompts) to encode task knowledge, from which appropriate ones are selected to guide the fixed pre-trained model in generating features tailored to a certain task. However, existing methods rely on predicting prompt identities for prompt selection, where the identity prediction process cannot be optimized with task loss. This limitation leads to sub-optimal prompt selection and inadequate adaptation of pre-trained features for a specific task. Previous efforts have tried to address this by directly generating prompts from input queries instead of selecting from a set of candidates. However, these prompts are continuous, which lack sufficient abstraction for task knowledge representation, making them less effective for continual learning. To address these challenges, we propose VQ-Prompt, a prompt-based continual learning method that incorporates Vector Quantization (VQ) into end-to-end training of a set of discrete prompts. In this way, VQ-Prompt can optimize the prompt selection process with task loss and meanwhile achieve effective abstraction of task knowledge for continual learning. Extensive experiments show that VQ-Prompt outperforms state-of-the-art continual learning methods across a variety of benchmarks under the challenging class-incremental setting. The code is available at \href{https://github.com/jiaolifengmi/VQ-Prompt}{this https URL}.
BlinkVision: A Benchmark for Optical Flow, Scene Flow and Point Tracking Estimation using RGB Frames and Events
Venue: arXiv cs.CV 2025
Year: 2025

Recent advances in event-based vision suggest that these systems complement traditional cameras by providing continuous observation without frame rate limitations and a high dynamic range, making them well-suited for correspondence tasks such as optical flow and point tracking. However, there is still a lack of comprehensive benchmarks for correspondence tasks that include both event data and images. To address this gap, we propose BlinkVision, a large-scale and diverse benchmark with multiple modalities and dense correspondence annotations. BlinkVision offers several valuable features: 1) Rich modalities: It includes both event data and RGB images. 2) Extensive annotations: It provides dense per-pixel annotations covering optical flow, scene flow, and point tracking. 3) Large vocabulary: It contains 410 everyday categories, sharing common classes with popular 2D and 3D datasets like LVIS and ShapeNet. 4) Naturalistic: It delivers photorealistic data and covers various naturalistic factors, such as camera shake and deformation. BlinkVision enables extensive benchmarks on three types of correspondence tasks (optical flow, point tracking, and scene flow estimation) for both image-based and event-based methods, offering new observations, practices, and insights for future research. The benchmark website is https://www.blinkvision.net/.
When To Seek Help: Trust-Aware Assistance Seeking in Human-Supervised Autonomy
Venue: arXiv cs.RO 2025
Year: 2025

Our goal is to model and experimentally assess trust evolution to predict future beliefs and behaviors of human-robot teams in dynamic environments. Research suggests that maintaining trust among team members in a human-robot team is vital for successful team performance. Research suggests that trust is a multi-dimensional and latent entity that relates to past experiences and future actions in a complex manner. Employing a human-robot collaborative task, we design an optimal assistance-seeking strategy for the robot using a POMDP framework. In the task, the human supervises an autonomous mobile manipulator collecting objects in an environment. The supervisor's task is to ensure that the robot safely executes its task. The robot can either choose to attempt to collect the object or seek human assistance. The human supervisor actively monitors the robot's activities, offering assistance upon request, and intervening if they perceive the robot may fail. In this setting, human trust is the hidden state, and the primary objective is to optimize team performance. We execute two sets of human-robot interaction experiments. The data from the first experiment are used to estimate POMDP parameters, which are used to compute an optimal assistance-seeking policy evaluated in the second experiment. The estimated POMDP parameters reveal that, for most participants, human intervention is more probable when trust is low, particularly in high-complexity tasks. Our estimates suggest that the robot's action of asking for assistance in high-complexity tasks can positively impact human trust. Our experimental results show that the proposed trust-aware policy is better than an optimal trust-agnostic policy. By comparing model estimates of human trust, obtained using only behavioral data, with the collected self-reported trust values, we show that model estimates are isomorphic to self-reported responses.
Fractal Signatures: Securing AI-Generated Pollock-Style Art via Intrinsic Watermarking and Blockchain
Venue: arXiv cs.CV 2025
Year: 2025

The digital art market faces unprecedented challenges in authenticity verification and copyright protection. This study introduces an integrated framework to address these issues by combining neural style transfer, fractal analysis, and blockchain technology. We generate abstract artworks inspired by Jackson Pollock, using their inherent mathematical complexity to create robust, imperceptible watermarks. Our method embeds these watermarks, derived from fractal and turbulence features, directly into the artwork's structure. This approach is then secured by linking the watermark to NFT metadata, ensuring immutable proof of ownership. Rigorous testing shows our feature-based watermarking achieves a 76.2% average detection rate against common attacks, significantly outperforming traditional methods (27.8-44.0%). This work offers a practical solution for digital artists and collectors, enhancing security and trust in the digital art ecosystem.
Coherence-guided Preference Disentanglement for Cross-domain Recommendations
Venue: arXiv cs.IR 2025
Year: 2025

Discovering user preferences across different domains is pivotal in cross-domain recommendation systems, particularly when platforms lack comprehensive user-item interactive data. The limited presence of shared users often hampers the effective modeling of common preferences. While leveraging shared items' attributes, such as category and popularity, can enhance cross-domain recommendation performance, the scarcity of shared items between domains has limited research in this area. To address this, we propose a Coherence-guided Preference Disentanglement (CoPD) method aimed at improving cross-domain recommendation by i) explicitly extracting shared item attributes to guide the learning of shared user preferences and ii) disentangling these preferences to identify specific user interests transferred between domains. CoPD introduces coherence constraints on item embeddings of shared and specific domains, aiding in extracting shared attributes. Moreover, it utilizes these attributes to guide the disentanglement of user preferences into separate embeddings for interest and conformity through a popularity-weighted loss. Experiments conducted on real-world datasets demonstrate the superior performance of our proposed CoPD over existing competitive baselines, highlighting its effectiveness in enhancing cross-domain recommendation performance.
Design, Implementation and Practical Energy-Efficiency Evaluation of a Blockchain Based Academic Credential Verification System for Low-Power Nodes
Venue: arXiv cs.DC 2025
Year: 2025

The educational system manages extensive documentation and paperwork, which can lead to human errors and sometimes abuse or fraud, such as the falsification of diplomas, certificates or other credentials. In fact, in the last years, multiple cases of fraud have been detected, which have a significant cost to society, since they harm the trustworthiness of certificates and academic institutions. To tackle such an issue, this article proposes a solution aimed at recording and verifying academic records through a decentralized application that is supported by a smart contract deployed in the Ethereum blockchain and by a decentralized storage system based on Inter-Planetary File System (IPFS). The proposed solution is evaluated in terms of performance and energy-efficiency, comparing the results obtained with a traditional Proof-of-Work (PoW) consensus protocol and the new Proof-of-Authority (PoA) protocol. The results shown in this paper indicate that the latter is clearly greener and demands less CPU load. Moreover, this article compares the performance of a traditional computer and two SBCs (a Raspberry Pi 4 and an Orange Pi One), showing that is possible to make use of the latter low-power devices to implement blockchain nodes but at the cost of higher response latency. Furthermore, the impact of Ethereum gas limit is evaluated, demonstrating its significant influence on the blockchain network performance. Thus, this article provides guidelines, useful practical evaluations and key findings that will help the next generation of green blockchain developers and researchers.
Generating and Optimizing Topologically Distinct Guesses for Mobile Manipulator Path Planning with Path Constraints
Venue: arXiv cs.RO 2025
Year: 2025

Optimal path planning is prone to convergence to local, rather than global, optima. This is often the case for mobile manipulators due to nonconvexities induced by obstacles, robot kinematics and constraints. This paper focuses on planning under end effector path constraints and attempts to circumvent the issue of converging to a local optimum. We propose a pipeline that first discovers multiple homotopically distinct paths, and then optimizes them to obtain multiple distinct local optima. The best out of these distinct local optima is likely to be close to the global optimum. We demonstrate the effectiveness of our pipeline in the optimal path planning of mobile manipulators in the presence of path and obstacle constraints.
Guide-LLM: An Embodied LLM Agent and Text-Based Topological Map for Robotic Guidance of People with Visual Impairments
Venue: arXiv cs.RO 2025
Year: 2025

Navigation presents a significant challenge for persons with visual impairments (PVI). While traditional aids such as white canes and guide dogs are invaluable, they fall short in delivering detailed spatial information and precise guidance to desired locations. Recent developments in large language models (LLMs) and vision-language models (VLMs) offer new avenues for enhancing assistive navigation. In this paper, we introduce Guide-LLM, an embodied LLM-based agent designed to assist PVI in navigating large indoor environments. Our approach features a novel text-based topological map that enables the LLM to plan global paths using a simplified environmental representation, focusing on straight paths and right-angle turns to facilitate navigation. Additionally, we utilize the LLM's commonsense reasoning for hazard detection and personalized path planning based on user preferences. Simulated experiments demonstrate the system's efficacy in guiding PVI, underscoring its potential as a significant advancement in assistive technology. The results highlight Guide-LLM's ability to offer efficient, adaptive, and personalized navigation assistance, pointing to promising advancements in this field.
Plan*RAG: Efficient Test-Time Planning for Retrieval Augmented Generation
Venue: arXiv cs.CL 2025
Year: 2025

We introduce Plan*RAG, a novel framework that enables structured multi-hop reasoning in retrieval-augmented generation (RAG) through test-time reasoning plan generation. While existing approaches such as ReAct maintain reasoning chains within the language model's context window, we observe that this often leads to plan fragmentation and execution failures. Our key insight is that by isolating the reasoning plan as a directed acyclic graph (DAG) outside the LM's working memory, we can enable (1) systematic exploration of reasoning paths, (2) atomic subqueries enabling precise retrievals and grounding, and (3) efficiency through parallel execution and bounded context window utilization. Moreover, Plan*RAG's modular design allows it to be integrated with existing RAG methods, thus providing a practical solution to improve current RAG systems. On standard multi-hop reasoning benchmarks, Plan*RAG consistently achieves improvements over recently proposed methods such as RQ-RAG and Self-RAG, while maintaining comparable computational costs.
From Cool Demos to Production-Ready FMware: Core Challenges and a Technology Roadmap
Venue: arXiv cs.SE 2025
Year: 2025

The rapid expansion of foundation models (FMs), such as large language models (LLMs), has given rise to FMware--software systems that integrate FMs as core components. While building demonstration-level FMware is relatively straightforward, transitioning to production-ready systems presents numerous challenges, including reliability, high implementation costs, scalability, and compliance with privacy regulations. Our paper conducts a semi-structured thematic synthesis to identify the key challenges in productionizing FMware across diverse data sources including our own industry experience in developing FMArts--a FMware lifecycle engineering platform and integrating it into Huawei cloud, grey literature, academic publications, hands-on involvement in the Open Platform for Enterprise AI (OPEA), organizing the AIware conference and Bootcamp, and co-leading the ISO SPDX SBOM working group on AI and datasets. We identify critical issues in FM selection, data and model alignment, prompt engineering, agent orchestration, system testing, and deployment, alongside cross-cutting concerns such as memory management, observability, and feedback integration. We discuss needed technologies and strategies to address these challenges and offer guidance on how to enable the transition from demonstration systems to scalable, production-ready FMware solutions. Our findings underscore the importance of continued research and multi-industry collaboration to advance the development of production-ready FMware.
LLMs are Biased Evaluators But Not Biased for Retrieval Augmented Generation
Venue: arXiv cs.CL 2025
Year: 2025

Recent studies have demonstrated that large language models (LLMs) exhibit significant biases in evaluation tasks, particularly in preferentially rating and favoring self-generated content. However, the extent to which this bias manifests in fact-oriented tasks, especially within retrieval-augmented generation (RAG) frameworks, where keyword extraction and factual accuracy take precedence over stylistic elements, remains unclear. Our study addresses this knowledge gap by simulating two critical phases of the RAG framework. In the first phase, LLMs evaluated human-authored and model-generated passages, emulating the \textit{pointwise reranking phase}. The second phase involves conducting pairwise reading comprehension tests to simulate the \textit{generation phase}. Contrary to previous findings indicating a self-preference in rating tasks, our results reveal no significant self-preference effect in RAG frameworks. Instead, we observe that factual accuracy significantly influences LLMs' output, even in the absence of prior knowledge. These findings are consistent among three common QA datasets (NQ, MARCO, TriviaQA Datasets) and 5 widely adopted language models (GPT-3.5, GPT-4o-mini, Gemini, LLaMA3, and Mistral). Our research contributes to the ongoing discourse on LLM biases and their implications for RAG-based system, offering insights that may inform the development of more robust and unbiased LLM systems.
Constrained Optimal Fuel Consumption of HEVs under Observational Noise
Venue: arXiv cs.LG 2025
Year: 2025

In our prior work, we investigated the minimum fuel consumption of a hybrid electric vehicle (HEV) under a state-of-charge (SOC) balance constraint, assuming perfect SOC measurements and accurate reference speed profiles. The constrained optimal fuel consumption (COFC) problem was addressed using a constrained reinforcement learning (CRL) framework. However, in real-world scenarios, SOC readings are often corrupted by sensor noise, and reference speeds may deviate from actual driving conditions. To account for these imperfections, this study reformulates the COFC problem by explicitly incorporating observational noise in both SOC and reference speed. We adopt a robust CRL approach, where the noise is modeled as a uniform distribution, and employ a structured training procedure to ensure stability. The proposed method is evaluated through simulations on the Toyota Prius hybrid system (THS), using both the New European Driving Cycle (NEDC) and the Worldwide Harmonized Light Vehicles Test Cycle (WLTC). Results show that fuel consumption and SOC constraint satisfaction remain robust across varying noise levels. Furthermore, the analysis reveals that observational noise in SOC and speed can impact fuel consumption to different extents. To the best of our knowledge, this is the first study to explicitly examine how observational noise -- commonly encountered in dynamometer testing and predictive energy control (PEC) applications -- affects constrained optimal fuel consumption in HEVs.