OpenRaiser/Intern-Atlas huggingface dataset:
Adversarial Alignment for LLMs Requires Simpler, Reproducible, and More Measurable Objectives
Venue: arXiv cs.LG 2025
Year: 2025

Misaligned research objectives have considerably hindered progress in adversarial robustness research over the past decade. For instance, an extensive focus on optimizing target metrics, while neglecting rigorous standardized evaluation, has led researchers to pursue ad-hoc heuristic defenses that were seemingly effective. Yet, most of these were exposed as flawed by subsequent evaluations, ultimately contributing little measurable progress to the field. In this position paper, we illustrate that current research on the robustness of large language models (LLMs) risks repeating past patterns with potentially worsened real-world implications. To address this, we argue that realigned objectives are necessary for meaningful progress in adversarial alignment. To this end, we build on established cybersecurity taxonomy to formally define differences between past and emerging threat models that apply to LLMs. Using this framework, we illustrate that progress requires disentangling adversarial alignment into addressable sub-problems and returning to core academic principles, such as measureability, reproducibility, and comparability. Although the field presents significant challenges, the fresh start on adversarial robustness offers the unique opportunity to build on past experience while avoiding previous mistakes.
Sharp-PINNs: staggered hard-constrained physics-informed neural networks for phase field modelling of corrosion
Venue: arXiv cs.LG 2025
Year: 2025

Physics-informed neural networks have shown significant potential in solving partial differential equations (PDEs) across diverse scientific fields. However, their performance often deteriorates when addressing PDEs with intricate and strongly coupled solutions. In this work, we present a novel Sharp-PINN framework to tackle complex phase field corrosion problems. Instead of minimizing all governing PDE residuals simultaneously, the Sharp-PINNs introduce a staggered training scheme that alternately minimizes the residuals of Allen-Cahn and Cahn-Hilliard equations, which govern the corrosion system. To further enhance its efficiency and accuracy, we design an advanced neural network architecture that integrates random Fourier features as coordinate embeddings, employs a modified multi-layer perceptron as the primary backbone, and enforces hard constraints in the output layer. This framework is benchmarked through simulations of corrosion problems with multiple pits, where the staggered training scheme and network architecture significantly improve both the efficiency and accuracy of PINNs. Moreover, in three-dimensional cases, our approach is 5-10 times faster than traditional finite element methods while maintaining competitive accuracy, demonstrating its potential for real-world engineering applications in corrosion prediction.
Massively Scaling Explicit Policy-conditioned Value Functions
Venue: arXiv cs.LG 2025
Year: 2025

We introduce a scaling strategy for Explicit Policy-Conditioned Value Functions (EPVFs) that significantly improves performance on challenging continuous-control tasks. EPVFs learn a value function V(θ) that is explicitly conditioned on the policy parameters, enabling direct gradient-based updates to the parameters of any policy. However, EPVFs at scale struggle with unrestricted parameter growth and efficient exploration in the policy parameter space. To address these issues, we utilize massive parallelization with GPU-based simulators, big batch sizes, weight clipping and scaled peturbations. Our results show that EPVFs can be scaled to solve complex tasks, such as a custom Ant environment, and can compete with state-of-the-art Deep Reinforcement Learning (DRL) baselines like Proximal Policy Optimization (PPO) and Soft Actor-Critic (SAC). We further explore action-based policy parameter representations from previous work and specialized neural network architectures to efficiently handle weight-space features, which have not been used in the context of DRL before.
STRIVE: Structured Reasoning for Self-Improvement in Claim Verification
Venue: arXiv cs.AI 2025
Year: 2025

Claim verification is the task of determining whether a claim is supported or refuted by evidence. Self-improvement methods, where reasoning chains are generated and those leading to correct results are selected for training, have succeeded in tasks like mathematical problem solving. However, in claim verification, this approach struggles. Low-quality reasoning chains may falsely match binary truth labels, introducing faulty reasoning into the self-improvement process and ultimately degrading performance. To address this, we propose STRIVE: Structured Reasoning for Self-Improved Verification. Our method introduces a structured reasoning design with Claim Decomposition, Entity Analysis, and Evidence Grounding Verification. These components improve reasoning quality, reduce errors, and provide additional supervision signals for self-improvement. STRIVE begins with a warm-up phase, where the base model is fine-tuned on a small number of annotated examples to learn the structured reasoning design. It is then applied to generate reasoning chains for all training examples, selecting only those that are correct and structurally sound for subsequent self-improvement training. We demonstrate that STRIVE achieves significant improvements over baseline models, with a 31.4% performance gain over the base model and 20.7% over Chain of Thought on the HOVER datasets, highlighting its effectiveness.
Parameterised algorithms for temporally satisfying reconfiguration problems
Venue: arXiv cs.DS 2025
Year: 2025

Given a static vertex-selection problem (e.g. independent set, dominating set) on a graph, we can define a corresponding temporally satisfying reconfiguration problem on a temporal graph which asks for a sequence of solutions to the vertex-selection problem at each time such that we can reconfigure from one solution to the next. We can think of each solution in the sequence as a set of vertices with tokens placed on them; our reconfiguration model allows us to slide tokens along active edges of a temporal graph at each time-step. We show that it is possible to efficiently check whether one solution can be reconfigured to another, and show that approximation results on the static vertex-selection problem can be adapted with a lifetime factor to the reconfiguration version. Our main contributions are fixed-parameter tractable algorithms with respect to: enumeration time of the related static problem; the combination of temporal neighbourhood diversity and lifetime of the input temporal graph; and the combination of lifetime and treewidth of the footprint graph.
Balancing Truthfulness and Informativeness with Uncertainty-Aware Instruction Fine-Tuning
Venue: arXiv cs.CL 2025
Year: 2025

Instruction fine-tuning (IFT) can increase the informativeness of large language models (LLMs), but may reduce their truthfulness. This trade-off arises because IFT steers LLMs to generate responses containing long-tail knowledge that was not well covered during pre-training. As a result, models become more informative but less accurate when generalizing to unseen tasks. In this paper, we empirically demonstrate how unfamiliar knowledge in IFT datasets can negatively affect the truthfulness of LLMs, and we introduce two new IFT paradigms, $UNIT_{cut}$ and $UNIT_{ref}$, to address this issue. $UNIT_{cut}$ identifies and removes unfamiliar knowledge from IFT datasets to mitigate its impact on model truthfulness, whereas $UNIT_{ref}$ trains LLMs to recognize their uncertainty and explicitly indicate it at the end of their responses. Our experiments show that $UNIT_{cut}$ substantially improves LLM truthfulness, while $UNIT_{ref}$ maintains high informativeness and reduces hallucinations by distinguishing between confident and uncertain statements.
Presumed Cultural Identity: How Names Shape LLM Responses
Venue: arXiv cs.CL 2025
Year: 2025

Names are deeply tied to human identity. They can serve as markers of individuality, cultural heritage, and personal history. However, using names as a core indicator of identity can lead to over-simplification of complex identities. When interacting with LLMs, user names are an important point of information for personalisation. Names can enter chatbot conversations through direct user input (requested by chatbots), as part of task contexts such as CV reviews, or as built-in memory features that store user information for personalisation. We study biases associated with names by measuring cultural presumptions in the responses generated by LLMs when presented with common suggestion-seeking queries, which might involve making assumptions about the user. Our analyses demonstrate strong assumptions about cultural identity associated with names present in LLM generations across multiple cultures. Our work has implications for designing more nuanced personalisation systems that avoid reinforcing stereotypes while maintaining meaningful customisation.
Designing Role Vectors to Improve LLM Inference Behaviour
Venue: arXiv cs.CL 2025
Year: 2025

The influence of personas on Large Language Models (LLMs) has been widely studied, yet their direct impact on performance remains uncertain. This work explores a novel approach to guiding LLM behaviour through role vectors, an alternative to persona-based prompting. We construct 29 role vectors derived from model activations and evaluate their impact on benchmark performance across multiple domains. Our analysis investigates whether these vectors can effectively steer models toward domain-specific expertise. We measure two key interventions: (i) activation addition, which reinforces role-specific directions, and (ii) directional ablation, which removes them. Results on well-established benchmarks indicate that role vectors do, in fact, influence model behaviour, improving task performance in relevant domains while marginally affecting unrelated tasks. This, in turn, suggests that manipulating internal model representations has a greater impact on outcomes than persona-based prompting.
Meta-Statistical Learning: Supervised Learning of Statistical Estimators
Venue: arXiv cs.LG 2025
Year: 2025

Statistical inference, a central tool of science, revolves around the study and the usage of statistical estimators: functions that map finite samples to predictions about unknown distribution parameters. In the frequentist framework, estimators are evaluated based on properties such as bias, variance (for parameter estimation), accuracy, power, and calibration (for hypothesis testing). However, crafting estimators with desirable properties is often analytically challenging, and sometimes impossible, e.g., there exists no universally unbiased estimator for the standard deviation. In this work, we introduce meta-statistical learning, an amortized learning framework that recasts estimator design as an optimization problem via supervised learning. This takes a fully empirical approach to discovering statistical estimators; entire datasets are input to permutation-invariant neural networks, such as Set Transformers, trained to predict the target statistical property. The trained model is the estimator, and can be analyzed through the classical frequentist lens. We demonstrate the approach on two tasks: learning a normality test (classification) and estimating mutual information (regression), achieving strong results even with small models. Looking ahead, this paradigm opens a path to automate the discovery of generalizable and flexible statistical estimators.
SoftCoT: Soft Chain-of-Thought for Efficient Reasoning with LLMs
Venue: arXiv cs.CL 2025
Year: 2025

Chain-of-Thought (CoT) reasoning enables Large Language Models (LLMs) to solve complex reasoning tasks by generating intermediate reasoning steps. However, most existing approaches focus on hard token decoding, which constrains reasoning within the discrete vocabulary space and may not always be optimal. While recent efforts explore continuous-space reasoning, they often require full-model fine-tuning and suffer from catastrophic forgetting, limiting their applicability to state-of-the-art LLMs that already perform well in zero-shot settings with a proper instruction. To address this challenge, we propose a novel approach for continuous-space reasoning that does not require modifying the LLM. Specifically, we employ a lightweight fixed assistant model to speculatively generate instance-specific soft thought tokens as the initial chain of thoughts, which are then mapped into the LLM's representation space via a trainable projection module. Experimental results on five reasoning benchmarks demonstrate that our method enhances LLM reasoning performance through supervised, parameter-efficient fine-tuning. Source code is available at https://github.com/xuyige/SoftCoT.
Direct Preference Optimization-Enhanced Multi-Guided Diffusion Model for Traffic Scenario Generation
Venue: arXiv cs.LG 2025
Year: 2025

Diffusion-based models are recognized for their effectiveness in using real-world driving data to generate realistic and diverse traffic scenarios. These models employ guided sampling to incorporate specific traffic preferences and enhance scenario realism. However, guiding the sampling process to conform to traffic rules and preferences can result in deviations from real-world traffic priors and potentially leading to unrealistic behaviors. To address this challenge, we introduce a multi-guided diffusion model that utilizes a novel training strategy to closely adhere to traffic priors, even when employing various combinations of guides. This model adopts a multi-task learning framework, enabling a single diffusion model to process various guide inputs. For increased guided sampling precision, our model is fine-tuned using the Direct Preference Optimization (DPO) algorithm. This algorithm optimizes preferences based on guide scores, effectively navigating the complexities and challenges associated with the expensive and often non-differentiable gradient calculations during the guided sampling fine-tuning process. Evaluated using the nuScenes dataset our model provides a strong baseline for balancing realism, diversity and controllability in the traffic scenario generation.
E2CB2former: Effecitve and Explainable Transformer for CB2 Receptor Ligand Activity Prediction
Venue: arXiv cs.LG 2025
Year: 2025

Accurate prediction of CB2 receptor ligand activity is pivotal for advancing drug discovery targeting this receptor, which is implicated in inflammation, pain management, and neurodegenerative conditions. Although conventional machine learning and deep learning techniques have shown promise, their limited interpretability remains a significant barrier to rational drug design. In this work, we introduce CB2former, a framework that combines a Graph Convolutional Network with a Transformer architecture to predict CB2 receptor ligand activity. By leveraging the Transformer's self attention mechanism alongside the GCN's structural learning capability, CB2former not only enhances predictive performance but also offers insights into the molecular features underlying receptor activity. We benchmark CB2former against diverse baseline models including Random Forest, Support Vector Machine, K Nearest Neighbors, Gradient Boosting, Extreme Gradient Boosting, Multilayer Perceptron, Convolutional Neural Network, and Recurrent Neural Network and demonstrate its superior performance with an R squared of 0.685, an RMSE of 0.675, and an AUC of 0.940. Moreover, attention weight analysis reveals key molecular substructures influencing CB2 receptor activity, underscoring the model's potential as an interpretable AI tool for drug discovery. This ability to pinpoint critical molecular motifs can streamline virtual screening, guide lead optimization, and expedite therapeutic development. Overall, our results showcase the transformative potential of advanced AI approaches exemplified by CB2former in delivering both accurate predictions and actionable molecular insights, thus fostering interdisciplinary collaboration and innovation in drug discovery.
A Closer Look at System Prompt Robustness
Venue: arXiv cs.CL 2025
Year: 2025

System prompts have emerged as a critical control surface for specifying the behavior of LLMs in chat and agent settings. Developers depend on system prompts to specify important context, output format, personalities, guardrails, content policies, and safety countermeasures, all of which require models to robustly adhere to the system prompt, especially when facing conflicting or adversarial user inputs. In practice, models often forget to consider relevant guardrails or fail to resolve conflicting demands between the system and the user. In this work, we study various methods for improving system prompt robustness by creating realistic new evaluation and fine-tuning datasets based on prompts collected from from OpenAI's GPT Store and HuggingFace's HuggingChat. Our experiments assessing models with a panel of new and existing benchmarks show that performance can be considerably improved with realistic fine-tuning data, as well as inference-time interventions such as classifier-free guidance. Finally, we analyze the results of recently released reasoning models from OpenAI and DeepSeek, which show exciting but uneven improvements on the benchmarks we study. Overall, current techniques fall short of ensuring system prompt robustness and further study is warranted.
An Interpretable Automated Mechanism Design Framework with Large Language Models
Venue: arXiv cs.LG 2025
Year: 2025

Mechanism design has long been a cornerstone of economic theory, with traditional approaches relying on mathematical derivations. Recently, automated approaches, including differentiable economics with neural networks, have emerged for designing payments and allocations. While both analytical and automated methods have advanced the field, they each face significant weaknesses: mathematical derivations are not automated and often struggle to scale to complex problems, while automated and especially neural-network-based approaches suffer from limited interpretability. To address these challenges, we introduce a novel framework that reformulates mechanism design as a code generation task. Using large language models (LLMs), we generate heuristic mechanisms described in code and evolve them to optimize over some evaluation metrics while ensuring key design criteria (e.g., strategy-proofness) through a problem-specific fixing process. This fixing process ensures any mechanism violating the design criteria is adjusted to satisfy them, albeit with some trade-offs in performance metrics. These trade-offs are factored in during the LLM-based evolution process. The code generation capabilities of LLMs enable the discovery of novel and interpretable solutions, bridging the symbolic logic of mechanism design and the generative power of modern AI. Through rigorous experimentation, we demonstrate that LLM-generated mechanisms achieve competitive performance while offering greater interpretability compared to previous approaches. Notably, our framework can rediscover existing manually designed mechanisms and provide insights into neural-network based solutions through Programming-by-Example. These results highlight the potential of LLMs to not only automate but also enhance the transparency and scalability of mechanism design, ensuring safe deployment of the mechanisms in society.
Enhancing Frame Detection with Retrieval Augmented Generation
Venue: arXiv cs.CL 2025
Year: 2025

Recent advancements in Natural Language Processing have significantly improved the extraction of structured semantic representations from unstructured text, especially through Frame Semantic Role Labeling (FSRL). Despite this progress, the potential of Retrieval-Augmented Generation (RAG) models for frame detection remains under-explored. In this paper, we present the first RAG-based approach for frame detection called RCIF (Retrieve Candidates and Identify Frames). RCIF is also the first approach to operate without the need for explicit target span and comprises three main stages: (1) generation of frame embeddings from various representations ; (2) retrieval of candidate frames given an input text; and (3) identification of the most suitable frames. We conducted extensive experiments across multiple configurations, including zero-shot, few-shot, and fine-tuning settings. Our results show that our retrieval component significantly reduces the complexity of the task by narrowing the search space thus allowing the frame identifier to refine and complete the set of candidates. Our approach achieves state-of-the-art performance on FrameNet 1.5 and 1.7, demonstrating its robustness in scenarios where only raw text is provided. Furthermore, we leverage the structured representation obtained through this method as a proxy to enhance generalization across lexical variations in the task of translating natural language questions into SPARQL queries.
IMPACTX: Improving Model Performance by Appropriately predicting CorrecT eXplanations
Venue: arXiv cs.LG 2025
Year: 2025

The eXplainable Artificial Intelligence (XAI) research predominantly concentrates to provide explainations about AI model decisions, especially Deep Learning (DL) models. However, there is a growing interest in using XAI techniques to automatically improve the performance of the AI systems themselves. This paper proposes IMPACTX, a novel approach that leverages XAI as a fully automated attention mechanism, without requiring external knowledge or human feedback. Experimental results show that IMPACTX has improved performance respect to the standalone ML model by integrating an attention mechanism based an XAI method outputs during the model training. Furthermore, IMPACTX directly provides proper feature attribution maps for the model's decisions, without relying on external XAI methods during the inference process. Our proposal is evaluated using three widely recognized DL models (EfficientNet-B2, MobileNet, and LeNet-5) along with three standard image datasets: CIFAR-10, CIFAR-100, and STL-10. The results show that IMPACTX consistently improves the performance of all the inspected DL models across all evaluated datasets, and it directly provides appropriate explanations for its responses.
Identifying the Best Transition Law
Venue: arXiv cs.LG 2025
Year: 2025

Motivated by recursive learning in Markov Decision Processes, this paper studies best-arm identification in bandit problems where each arm's reward is drawn from a multinomial distribution with a known support. We compare the performance { reached by strategies including notably LUCB without and with use of this knowledge. } In the first case, we use classical non-parametric approaches for the confidence intervals. In the second case, where a probability distribution is to be estimated, we first use classical deviation bounds (Hoeffding and Bernstein) on each dimension independently, and then the Empirical Likelihood method (EL-LUCB) on the joint probability vector. The effectiveness of these methods is demonstrated through simulations on scenarios with varying levels of structural complexity.