OpenRaiser/Intern-Atlas huggingface dataset:
Large Language Model Powered Decision Support for a Metal Additive Manufacturing Knowledge Graph
Venue: arXiv cs.IR 2025
Year: 2025

Metal additive manufacturing (AM) involves complex interdependencies among processes, materials, feedstock, and post-processing steps. However, the underlying relationships and domain knowledge remain fragmented across literature and static databases that often require expert-level queries, limiting their applicability in design and planning. To address these limitations, we develop a novel and structured knowledge graph (KG), representing 53 distinct metals and alloys across seven material categories, nine AM processes, four feedstock types, and corresponding post-processing requirements. A large language model (LLM) interface, guided by a few-shot prompting strategy, enables natural language querying without the need for formal query syntax. The system supports a range of tasks, including compatibility evaluation, constraint-based filtering, and design for AM (DfAM) guidance. User queries in natural language are normalized, translated into Cypher, and executed on the KG, with results returned in a structured format. This work introduces the first interactive system that connects a domain-specific metal AM KG with an LLM interface, delivering accessible and explainable decision support for engineers and promoting human-centered tools in manufacturing knowledge systems.
Guiding Giants: Lightweight Controllers for Weighted Activation Steering in LLMs
Venue: arXiv cs.CL 2025
Year: 2025

Controlling undesirable Large Language Model (LLM) behaviors, such as the generation of unsafe content or failing to adhere to safety guidelines, often relies on costly fine-tuning. Activation steering provides an alternative for inference-time control, but existing methods typically lack fine-grained, adaptive mechanisms. We introduce a novel approach using a lightweight, trainable controller network integrated during inference. This controller network observes specific intermediate LLM activations and predicts both a global scaling factor and layer-specific weights. The predicted global scaling factor and layer-specific weights then dynamically modulate the intensity of a steering patch, derived from a pre-computed "refusal direction" vector, applied across the LLM's layers during generation. Trained on activations from both harmful and benign prompts, our controller learns to discriminatively apply nuanced, layer-aware interventions, activating steering primarily for harmful inputs. Experiments using safety benchmarks like ToxicChat & In-The-Wild Jailbreak Prompts demonstrate that our weighted steering controller significantly increases refusal rates compared to the base LLM, achieving targeted behavioral modification without altering the original model parameters. Our experiments with Llama-3.1-8B, Llama-3.2-1B & Mistral-7B show our approach outperforms existing methods, presenting an efficient and adaptive method for fine-grained control over LLM behavior at inference time.
Reasoning in Neurosymbolic AI
Venue: arXiv cs.AI 2025
Year: 2025

Knowledge representation and reasoning in neural networks have been a long-standing endeavor which has attracted much attention recently. The principled integration of reasoning and learning in neural networks is a main objective of the area of neurosymbolic Artificial Intelligence (AI). In this chapter, a simple energy-based neurosymbolic AI system is described that can represent and reason formally about any propositional logic formula. This creates a powerful combination of learning from data and knowledge and logical reasoning. We start by positioning neurosymbolic AI in the context of the current AI landscape that is unsurprisingly dominated by Large Language Models (LLMs). We identify important challenges of data efficiency, fairness and safety of LLMs that might be addressed by neurosymbolic reasoning systems with formal reasoning capabilities. We then discuss the representation of logic by the specific energy-based system, including illustrative examples and empirical evaluation of the correspondence between logical reasoning and energy minimization using Restricted Boltzmann Machines (RBM). Learning from data and knowledge is also evaluated empirically and compared with a symbolic, neural and a neurosymbolic system. Results reported in this chapter in an accessible way are expected to reignite the research on the use of neural networks as massively-parallel models for logical reasoning and promote the principled integration of reasoning and learning in deep networks. We conclude the chapter with a discussion of the importance of positioning neurosymbolic AI within a broader framework of formal reasoning and accountability in AI, discussing the challenges for neurosynbolic AI to tackle the various known problems of reliability of deep learning.
Lookahead Q-Cache: Achieving More Consistent KV Cache Eviction via Pseudo Query
Venue: arXiv cs.CL 2025
Year: 2025

Large language models (LLMs) rely on key-value cache (KV cache) to accelerate decoding by reducing redundant computations. However, the KV cache memory usage grows substantially with longer text sequences, posing challenges for efficient deployment. Existing KV cache eviction methods prune tokens using prefilling-stage attention scores, causing inconsistency with actual inference queries, especially under tight memory budgets. In this paper, we propose Lookahead Q-Cache (LAQ), a novel eviction framework that generates low-cost pseudo lookahead queries to better approximate the true decoding-stage queries. By using these lookahead queries as the observation window for importance estimation, LAQ achieves more consistent and accurate KV cache eviction aligned with real inference scenarios. Experimental results on LongBench and Needle-in-a-Haystack benchmarks show that LAQ outperforms existing methods across various budget levels, achieving a 1 $\sim$ 4 point improvement on LongBench under limited cache budget. Moreover, LAQ is complementary to existing approaches and can be flexibly combined to yield further improvements.
MOSLIM:Align with diverse preferences in prompts through reward classification
Venue: arXiv cs.CL 2025
Year: 2025

The multi-objective alignment of Large Language Models (LLMs) is essential for ensuring foundational models conform to diverse human preferences. Current research in this field typically involves either multiple policies or multiple reward models customized for various preferences, or the need to train a preference-specific supervised fine-tuning (SFT) model. In this work, we introduce a novel multi-objective alignment method, MOSLIM, which utilizes a single reward model and policy model to address diverse objectives. MOSLIM provides a flexible way to control these objectives through prompting and does not require preference training during SFT phase, allowing thousands of off-the-shelf models to be directly utilized within this training framework. MOSLIM leverages a multi-head reward model that classifies question-answer pairs instead of scoring them and then optimize policy model with a scalar reward derived from a mapping function that converts classification results from reward model into reward scores. We demonstrate the efficacy of our proposed method across several multi-objective benchmarks and conduct ablation studies on various reward model sizes and policy optimization methods. The MOSLIM method outperforms current multi-objective approaches in most results while requiring significantly fewer GPU computing resources compared with existing policy optimization methods.
Assessing the Capability of LLMs in Solving POSCOMP Questions
Venue: arXiv cs.CL 2025
Year: 2025

Recent advancements in Large Language Models (LLMs) have significantly expanded the capabilities of artificial intelligence in natural language processing tasks. Despite this progress, their performance in specialized domains such as computer science remains relatively unexplored. Understanding the proficiency of LLMs in these domains is critical for evaluating their practical utility and guiding future developments. The POSCOMP, a prestigious Brazilian examination used for graduate admissions in computer science promoted by the Brazlian Computer Society (SBC), provides a challenging benchmark. This study investigates whether LLMs can match or surpass human performance on the POSCOMP exam. Four LLMs - ChatGPT-4, Gemini 1.0 Advanced, Claude 3 Sonnet, and Le Chat Mistral Large - were initially evaluated on the 2022 and 2023 POSCOMP exams. The assessments measured the models' proficiency in handling complex questions typical of the exam. LLM performance was notably better on text-based questions than on image interpretation tasks. In the 2022 exam, ChatGPT-4 led with 57 correct answers out of 69 questions, followed by Gemini 1.0 Advanced (49), Le Chat Mistral (48), and Claude 3 Sonnet (44). Similar trends were observed in the 2023 exam. ChatGPT-4 achieved the highest performance, surpassing all students who took the POSCOMP 2023 exam. LLMs, particularly ChatGPT-4, show promise in text-based tasks on the POSCOMP exam, although image interpretation remains a challenge. Given the rapid evolution of LLMs, we expanded our analysis to include more recent models - o1, Gemini 2.5 Pro, Claude 3.7 Sonnet, and o3-mini-high - evaluated on the 2022-2024 POSCOMP exams. These newer models demonstrate further improvements and consistently surpass both the average and top-performing human participants across all three years.
FastCache: Fast Caching for Diffusion Transformer Through Learnable Linear Approximation
Venue: arXiv cs.LG 2025
Year: 2025

Diffusion Transformers (DiT) are powerful generative models but remain computationally intensive due to their iterative structure and deep transformer stacks. To alleviate this inefficiency, we propose FastCache, a hidden-state-level caching and compression framework that accelerates DiT inference by exploiting redundancy within the model's internal representations. FastCache introduces a dual strategy: (1) a spatial-aware token selection mechanism that adaptively filters redundant tokens based on hidden state saliency, and (2) a transformer-level cache that reuses latent activations across timesteps when changes are statistically insignificant. These modules work jointly to reduce unnecessary computation while preserving generation fidelity through learnable linear approximation. Theoretical analysis shows that FastCache maintains bounded approximation error under a hypothesis-testing-based decision rule. Empirical evaluations across multiple DiT variants demonstrate substantial reductions in latency and memory usage, with best generation output quality compared to other cache methods, as measured by FID and t-FID. Code implementation of FastCache is available on GitHub at https://github.com/NoakLiu/FastCache-xDiT.
VSCBench: Bridging the Gap in Vision-Language Model Safety Calibration
Venue: arXiv cs.IR 2025
Year: 2025

The rapid advancement of vision-language models (VLMs) has brought a lot of attention to their safety alignment. However, existing methods have primarily focused on model undersafety, where the model responds to hazardous queries, while neglecting oversafety, where the model refuses to answer safe queries. In this paper, we introduce the concept of $\textit{safety calibration}$, which systematically addresses both undersafety and oversafety. Specifically, we present $\textbf{VSCBench}$, a novel dataset of 3,600 image-text pairs that are visually or textually similar but differ in terms of safety, which is designed to evaluate safety calibration across image-centric and text-centric scenarios. Based on our benchmark, we evaluate safety calibration across eleven widely used VLMs. Our extensive experiments revealed major issues with both undersafety and oversafety. We further investigated four approaches to improve the model's safety calibration. We found that even though some methods effectively calibrated the models' safety problems, these methods also lead to the degradation of models' utility. This trade-off underscores the urgent need for advanced calibration methods, and our benchmark provides a valuable tool for evaluating future approaches. Our code and data are available at https://github.com/jiahuigeng/VSCBench.git.
A Python workflow definition for computational materials design
Venue: arXiv cs.SE 2025
Year: 2025

Numerous Workflow Management Systems (WfMS) have been developed in the field of computational materials science with different workflow formats, hindering interoperability and reproducibility of workflows in the field. To address this challenge, we introduce here the Python Workflow Definition (PWD) as a workflow exchange format to share workflows between Python-based WfMS, currently AiiDA, jobflow, and pyiron. This development is motivated by the similarity of these three Python-based WfMS, that represent the different workflow steps and data transferred between them as nodes and edges in a graph. With the PWD, we aim at fostering the interoperability and reproducibility between the different WfMS in the context of Findable, Accessible, Interoperable, Reusable (FAIR) workflows. To separate the scientific from the technical complexity, the PWD consists of three components: (1) a conda environment that specifies the software dependencies, (2) a Python module that contains the Python functions represented as nodes in the workflow graph, and (3) a workflow graph stored in the JavaScript Object Notation (JSON). The first version of the PWD supports directed acyclic graph (DAG)-based workflows. Thus, any DAG-based workflow defined in one of the three WfMS can be exported to the PWD and afterwards imported from the PWD to one of the other WfMS. After the import, the input parameters of the workflow can be adjusted and computing resources can be assigned to the workflow, before it is executed with the selected WfMS. This import from and export to the PWD is enabled by the PWD Python library that implements the PWD in AiiDA, jobflow, and pyiron.
Co-Design of Soft Gripper with Neural Physics
Venue: arXiv cs.RO 2025
Year: 2025

For robot manipulation, both the controller and end-effector design are crucial. Soft grippers are generalizable by deforming to different geometries, but designing such a gripper and finding its grasp pose remains challenging. In this paper, we propose a co-design framework that generates an optimized soft gripper's block-wise stiffness distribution and its grasping pose, using a neural physics model trained in simulation. We derived a uniform-pressure tendon model for a flexure-based soft finger, then generated a diverse dataset by randomizing both gripper pose and design parameters. A neural network is trained to approximate this forward simulation, yielding a fast, differentiable surrogate. We embed that surrogate in an end-to-end optimization loop to optimize the ideal stiffness configuration and best grasp pose. Finally, we 3D-print the optimized grippers of various stiffness by changing the structural parameters. We demonstrate that our co-designed grippers significantly outperform baseline designs in both simulation and hardware experiments. More info: http://yswhynot.github.io/codesign-soft/
SCAR: Shapley Credit Assignment for More Efficient RLHF
Venue: arXiv cs.AI 2025
Year: 2025

Reinforcement Learning from Human Feedback (RLHF) is a widely used technique for aligning Large Language Models (LLMs) with human preferences, yet it often suffers from sparse reward signals, making effective credit assignment challenging. In typical setups, the reward model provides a single scalar score for an entire generated sequence, offering little insight into which token or span-level decisions were responsible for the outcome. To address this, we propose Shapley Credit Assignment Rewards (SCAR), a novel method that leverages Shapley values in cooperative game theory. SCAR distributes the total sequence-level reward among constituent tokens or text spans based on their principled marginal contributions. This creates dense reward signals, crucially, without necessitating the training of auxiliary critique models or recourse to fine-grained human annotations at intermediate generation stages. Unlike prior dense reward methods, SCAR offers a game-theoretic foundation for fair credit attribution. Theoretically, we demonstrate that SCAR preserves the original optimal policy, and empirically, across diverse tasks including sentiment control, text summarization, and instruction tuning, we show that SCAR converges significantly faster and achieves higher final reward scores compared to standard RLHF and attention-based dense reward baselines. Our findings suggest that SCAR provides a more effective and theoretically sound method for credit assignment in RLHF, leading to more efficient alignment of LLMs.
SZ Sequences: Binary-Based $(0, 2^q)$-Sequences
Venue: arXiv cs.GR 2025
Year: 2025

Low-discrepancy sequences have seen widespread adoption in computer graphics thanks to their superior convergence rates. Since rendering integrals often comprise products of lower-dimensional integrals, recent work has focused on developing sequences that are also well-distributed in lower-dimensional projections. To this end, we introduce a novel construction of binary-based (0, 4)-sequences; that is, progressive fully multi-stratified sequences of 4D points, and extend the idea to higher power-of-two dimensions. We further show that not only it is possible to nest lower-dimensional sequences in higher-dimensional ones -- for example, embedding a (0, 2)-sequence within our (0, 4)-sequence -- but that we can ensemble two (0, 2)-sequences into a (0, 4)-sequence, four (0, 4)-sequences into a (0, 16)-sequence, and so on. Such sequences can provide excellent convergence rates when integrals include lower-dimensional integration problems in 2, 4, 16, ... dimensions. Our construction is based on using 2$\times$2 block matrices as symbols to construct larger matrices that potentially generate a sequence with the target (0, s)-sequence in base $s$ property. We describe how to search for suitable alphabets and identify two distinct, cross-related alphabets of block symbols, which we call S and Z, hence \emph{SZ} for the resulting family of sequences. Given the alphabets, we construct candidate generator matrices and search for valid sets of matrices. We then infer a formula to construct full-resolution (64-bit) matrices. Our binayr generator matrices allow highly efficient implementation using bitwise operations, and can be used as a drop-in replacement for Sobol matrices in existing applications. We compare SZ sequences to state-of-the-art low discrepancy sequences, and demonstrate mean relative squared error improvements up to $1.93\times$ in common rendering applications.
Conversation Kernels: A Flexible Mechanism to Learn Relevant Context for Online Conversation Understanding
Venue: arXiv cs.CL 2025
Year: 2025

Understanding online conversations has attracted research attention with the growth of social networks and online discussion forums. Content analysis of posts and replies in online conversations is difficult because each individual utterance is usually short and may implicitly refer to other posts within the same conversation. Thus, understanding individual posts requires capturing the conversational context and dependencies between different parts of a conversation tree and then encoding the context dependencies between posts and comments/replies into the language model. To this end, we propose a general-purpose mechanism to discover appropriate conversational context for various aspects about an online post in a conversation, such as whether it is informative, insightful, interesting or funny. Specifically, we design two families of Conversation Kernels, which explore different parts of the neighborhood of a post in the tree representing the conversation and through this, build relevant conversational context that is appropriate for each task being considered. We apply our developed method to conversations crawled from slashdot.org, which allows users to apply highly different labels to posts, such as 'insightful', 'funny', etc., and therefore provides an ideal experimental platform to study whether a framework such as Conversation Kernels is general-purpose and flexible enough to be adapted to disparately different conversation understanding tasks.
InFact: Informativeness Alignment for Improved LLM Factuality
Venue: arXiv cs.CL 2025
Year: 2025

Factual completeness is a general term that captures how detailed and informative a factually correct text is. For instance, the factual sentence ``Barack Obama was born in the United States'' is factually correct, though less informative than the factual sentence ``Barack Obama was born in Honolulu, Hawaii, United States''. Despite the known fact that LLMs tend to hallucinate and generate factually incorrect text, they might also tend to choose to generate factual text that is indeed factually correct and yet less informative than other, more informative choices. In this work, we tackle this problem by proposing an informativeness alignment mechanism. This mechanism takes advantage of recent factual benchmarks to propose an informativeness alignment objective. This objective prioritizes answers that are both correct and informative. A key finding of our work is that when training a model to maximize this objective or optimize its preference, we can improve not just informativeness but also factuality.
Project Riley: Multimodal Multi-Agent LLM Collaboration with Emotional Reasoning and Voting
Venue: arXiv cs.AI 2025
Year: 2025

This paper presents Project Riley, a novel multimodal and multi-model conversational AI architecture oriented towards the simulation of reasoning influenced by emotional states. Drawing inspiration from Pixar's Inside Out, the system comprises five distinct emotional agents - Joy, Sadness, Fear, Anger, and Disgust - that engage in structured multi-round dialogues to generate, criticise, and iteratively refine responses. A final reasoning mechanism synthesises the contributions of these agents into a coherent output that either reflects the dominant emotion or integrates multiple perspectives. The architecture incorporates both textual and visual large language models (LLMs), alongside advanced reasoning and self-refinement processes. A functional prototype was deployed locally in an offline environment, optimised for emotional expressiveness and computational efficiency. From this initial prototype, another one emerged, called Armando, which was developed for use in emergency contexts, delivering emotionally calibrated and factually accurate information through the integration of Retrieval-Augmented Generation (RAG) and cumulative context tracking. The Project Riley prototype was evaluated through user testing, in which participants interacted with the chatbot and completed a structured questionnaire assessing three dimensions: Emotional Appropriateness, Clarity and Utility, and Naturalness and Human-likeness. The results indicate strong performance in structured scenarios, particularly with respect to emotional alignment and communicative clarity.