Daily Papers

Toxic text classification for online moderation remains challenging under extreme class imbalance, where rare but high-risk labels such as threat and severe_toxic are consistently underdetected by conventional models. We propose CoGate-LSTM, a parameter-efficient recurrent architecture built around a novel cosine-similarity feature gating mechanism that adaptively rescales token embeddings by their directional similarity to a learned toxicity prototype. Unlike token-position attention, the gate emphasizes feature directions most informative for minority toxic classes. The model combines frozen multi-source embeddings (GloVe, FastText, and BERT-CLS), a character-level BiLSTM, embedding-space SMOTE, and weighted focal loss. On the Jigsaw Toxic Comment benchmark, CoGate-LSTM achieves 0.881 macro-F1 (95% CI: [0.873, 0.889]) and 96.0% accuracy, outperforming fine-tuned BERT by 6.9 macro-F1 points (p < 0.001) and XGBoost by 4.7, while using only 7.3M parameters (about 15times fewer than BERT) and 48 ms CPU inference latency. Gains are strongest on minority labels, with F1 improvements of +71% for severe_toxic, +33% for threat, and +28% for identity_hate relative to fine-tuned BERT. Ablations identify cosine gating as the primary driver of performance (-4.8 macro-F1 when removed), with additional benefits from character-level fusion (-2.4) and multi-head attention (-2.9). CoGate-LSTM also transfers reasonably across datasets, reaching a 0.71 macro-F1 zero-shot on the Contextual Abuse Dataset and 0.73 with lightweight threshold adaptation. These results show that direction-aware feature gating offers an effective and efficient alternative to large, fully fine-tuned transformers for classifying imbalanced toxic comments.

In large language model (LLM) pretraining, data quality is believed to determine model quality. In this paper, we re-examine the notion of "quality" from the perspective of pre- and post-training co-design. Specifically, we explore the possibility that pre-training on more toxic data can lead to better control in post-training, ultimately decreasing a model's output toxicity. First, we use a toy experiment to study how data composition affects the geometry of features in the representation space. Next, through controlled experiments with Olmo-1B models trained on varying ratios of clean and toxic data, we find that the concept of toxicity enjoys a less entangled linear representation as the proportion of toxic data increases. Furthermore, we show that although toxic data increases the generational toxicity of the base model, it also makes the toxicity easier to remove. Evaluations on Toxigen and Real Toxicity Prompts demonstrate that models trained on toxic data achieve a better trade-off between reducing generational toxicity and preserving general capabilities when detoxifying techniques such as inference-time intervention (ITI) are applied. Our findings suggest that, with post-training taken into account, bad data may lead to good models.

Toxicity remains a leading cause of early-stage drug development failure. Despite advances in molecular design and property prediction, the task of molecular toxicity repair - generating structurally valid molecular alternatives with reduced toxicity - has not yet been systematically defined or benchmarked. To fill this gap, we introduce ToxiMol, the first benchmark task for general-purpose Multimodal Large Language Models (MLLMs) focused on molecular toxicity repair. We construct a standardized dataset covering 11 primary tasks and 560 representative toxic molecules spanning diverse mechanisms and granularities. We design a prompt annotation pipeline with mechanism-aware and task-adaptive capabilities, informed by expert toxicological knowledge. In parallel, we propose an automated evaluation framework, ToxiEval, which integrates toxicity endpoint prediction, synthetic accessibility, drug-likeness, and structural similarity into a high-throughput evaluation chain for repair success. We systematically assess nearly 30 mainstream general-purpose MLLMs and design multiple ablation studies to analyze key factors such as evaluation criteria, candidate diversity, and failure attribution. Experimental results show that although current MLLMs still face significant challenges on this task, they begin to demonstrate promising capabilities in toxicity understanding, semantic constraint adherence, and structure-aware molecule editing.

Researchers and developers increasingly rely on toxicity scoring to moderate generative language model outputs, in settings such as customer service, information retrieval, and content generation. However, toxicity scoring may render pertinent information inaccessible, rigidify or "value-lock" cultural norms, and prevent language reclamation processes, particularly for marginalized people. In this work, we extend the concept of algorithmic recourse to generative language models: we provide users a novel mechanism to achieve their desired prediction by dynamically setting thresholds for toxicity filtering. Users thereby exercise increased agency relative to interactions with the baseline system. A pilot study (n = 30) supports the potential of our proposed recourse mechanism, indicating improvements in usability compared to fixed-threshold toxicity-filtering of model outputs. Future work should explore the intersection of toxicity scoring, model controllability, user agency, and language reclamation processes -- particularly with regard to the bias that many communities encounter when interacting with generative language models.

Large Language Models have demonstrated impressive fluency across diverse tasks, yet their tendency to produce toxic content remains a critical challenge for AI safety and public trust. Existing toxicity mitigation approaches primarily manipulate individual neuron activations, but these methods suffer from instability, context dependence, and often compromise the model's core language abilities. To address these shortcomings, we investigate three key questions: the stability of neuron-level toxicity indicators, the advantages of structural (layer-wise) representations, and the interpretability of mechanisms driving toxic generation. Through extensive experiments on Jigsaw and ToxiCN datasets, we show that aggregated layer-wise features provide more robust signals than single neurons. Moreover, we observe conceptual limitations in prior works that conflate toxicity detection experts and generation experts within neuron-based interventions. To mitigate this, we propose a novel principled intervention technique, EigenShift, based on eigen-decomposition of the language model's final output layer. This method selectively targets generation-aligned components, enabling precise toxicity suppression without impairing linguistic competence. Our method requires no additional training or fine-tuning, incurs minimal computational cost, and is grounded in rigorous theoretical analysis.

Large language models (LLMs) have become integral to our professional workflows and daily lives. Nevertheless, these machine companions of ours have a critical flaw: the huge amount of data which endows them with vast and diverse knowledge, also exposes them to the inevitable toxicity and bias. While most LLMs incorporate defense mechanisms to prevent the generation of harmful content, these safeguards can be easily bypassed with minimal prompt engineering. In this paper, we introduce the new Thoroughly Engineered Toxicity (TET) dataset, comprising manually crafted prompts designed to nullify the protective layers of such models. Through extensive evaluations, we demonstrate the pivotal role of TET in providing a rigorous benchmark for evaluation of toxicity awareness in several popular LLMs: it highlights the toxicity in the LLMs that might remain hidden when using normal prompts, thus revealing subtler issues in their behavior.

Recent advances in large language models (LLMs) have enabled molecular reasoning for property prediction. However, toxicity arises from complex biological mechanisms beyond chemical structure, necessitating mechanistic reasoning for reliable prediction. Despite its importance, current benchmarks fail to systematically evaluate this capability. LLMs can generate fluent but biologically unfaithful explanations, making it difficult to assess whether predicted toxicities are grounded invalid mechanisms. To bridge this gap, we introduce ToxReason, a benchmark grounded in the Adverse Outcome Pathway (AOP) that evaluates organ-level toxicity reasoning across multiple organs. ToxReason integrates experimental drug-target interaction evidence with toxicity labels, requiring models to infer both toxic outcomes and their underlying mechanisms from Molecular Initiating Event (MIE) to Adverse Outcome (AO). Using ToxReason, we evaluate toxicity prediction performance and reasoning quality across diverse LLMs. We find that strong predictive performance does not necessarily imply reliable reasoning. Furthermore, we show that reasoning-aware training improves mechanistic reasoning and, consequently, toxicity prediction performance. Together, these results underscore the necessity of integrating reasoning into both evaluation and training for trustworthy toxicity modeling.

Large language models (LLMs) like ChatGPT and Gemini have significantly advanced natural language processing, enabling various applications such as chatbots and automated content generation. However, these models can be exploited by malicious individuals who craft toxic prompts to elicit harmful or unethical responses. These individuals often employ jailbreaking techniques to bypass safety mechanisms, highlighting the need for robust toxic prompt detection methods. Existing detection techniques, both blackbox and whitebox, face challenges related to the diversity of toxic prompts, scalability, and computational efficiency. In response, we propose ToxicDetector, a lightweight greybox method designed to efficiently detect toxic prompts in LLMs. ToxicDetector leverages LLMs to create toxic concept prompts, uses embedding vectors to form feature vectors, and employs a Multi-Layer Perceptron (MLP) classifier for prompt classification. Our evaluation on various versions of the LLama models, Gemma-2, and multiple datasets demonstrates that ToxicDetector achieves a high accuracy of 96.39\% and a low false positive rate of 2.00\%, outperforming state-of-the-art methods. Additionally, ToxicDetector's processing time of 0.0780 seconds per prompt makes it highly suitable for real-time applications. ToxicDetector achieves high accuracy, efficiency, and scalability, making it a practical method for toxic prompt detection in LLMs.

Toxic conversations during software development interactions may have serious repercussions on a Free and Open Source Software (FOSS) development project. For example, victims of toxic conversations may become afraid to express themselves, therefore get demotivated, and may eventually leave the project. Automated filtering of toxic conversations may help a FOSS community to maintain healthy interactions among its members. However, off-the-shelf toxicity detectors perform poorly on Software Engineering (SE) datasets, such as one curated from code review comments. To encounter this challenge, we present ToxiCR, a supervised learning-based toxicity identification tool for code review interactions. ToxiCR includes a choice to select one of the ten supervised learning algorithms, an option to select text vectorization techniques, eight preprocessing steps, and a large-scale labeled dataset of 19,571 code review comments. Two out of those eight preprocessing steps are SE domain specific. With our rigorous evaluation of the models with various combinations of preprocessing steps and vectorization techniques, we have identified the best combination for our dataset that boosts 95.8% accuracy and 88.9% F1 score. ToxiCR significantly outperforms existing toxicity detectors on our dataset. We have released our dataset, pre-trained models, evaluation results, and source code publicly available at: https://github.com/WSU-SEAL/ToxiCR

Perception of toxicity evolves over time and often differs between geographies and cultural backgrounds. Similarly, black-box commercially available APIs for detecting toxicity, such as the Perspective API, are not static, but frequently retrained to address any unattended weaknesses and biases. We evaluate the implications of these changes on the reproducibility of findings that compare the relative merits of models and methods that aim to curb toxicity. Our findings suggest that research that relied on inherited automatic toxicity scores to compare models and techniques may have resulted in inaccurate findings. Rescoring all models from HELM, a widely respected living benchmark, for toxicity with the recent version of the API led to a different ranking of widely used foundation models. We suggest caution in applying apples-to-apples comparisons between studies and lay recommendations for a more structured approach to evaluating toxicity over time. Code and data are available at https://github.com/for-ai/black-box-api-challenges.

Despite remarkable advances that large language models have achieved in chatbots, maintaining a non-toxic user-AI interactive environment has become increasingly critical nowadays. However, previous efforts in toxicity detection have been mostly based on benchmarks derived from social media content, leaving the unique challenges inherent to real-world user-AI interactions insufficiently explored. In this work, we introduce ToxicChat, a novel benchmark based on real user queries from an open-source chatbot. This benchmark contains the rich, nuanced phenomena that can be tricky for current toxicity detection models to identify, revealing a significant domain difference compared to social media content. Our systematic evaluation of models trained on existing toxicity datasets has shown their shortcomings when applied to this unique domain of ToxicChat. Our work illuminates the potentially overlooked challenges of toxicity detection in real-world user-AI conversations. In the future, ToxicChat can be a valuable resource to drive further advancements toward building a safe and healthy environment for user-AI interactions.

Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability. This limits their ability to capture organ-specific toxicities driven by complex biological mechanisms. Large language models (LLMs) offer a promising alternative through step-by-step reasoning and integration of textual data, yet prior approaches lack biological context and transparent rationale. To address this issue, we propose CoTox, a novel framework that integrates LLM with chain-of-thought (CoT) reasoning for multi-toxicity prediction. CoTox combines chemical structure data, biological pathways, and gene ontology (GO) terms to generate interpretable toxicity predictions through step-by-step reasoning. Using GPT-4o, we show that CoTox outperforms both traditional machine learning and deep learning model. We further examine its performance across various LLMs to identify where CoTox is most effective. Additionally, we find that representing chemical structures with IUPAC names, which are easier for LLMs to understand than SMILES, enhances the model's reasoning ability and improves predictive performance. To demonstrate its practical utility in drug development, we simulate the treatment of relevant cell types with drug and incorporated the resulting biological context into the CoTox framework. This approach allow CoTox to generate toxicity predictions aligned with physiological responses, as shown in case study. This result highlights the potential of LLM-based frameworks to improve interpretability and support early-stage drug safety assessment. The code and prompt used in this work are available at https://github.com/dmis-lab/CoTox.

Recent advances in large language models (LLMs) have led to their extensive global deployment, and ensuring their safety calls for comprehensive and multilingual toxicity evaluations. However, existing toxicity benchmarks are overwhelmingly focused on English, posing serious risks to deploying LLMs in other languages. We address this by introducing PolygloToxicityPrompts (PTP), the first large-scale multilingual toxicity evaluation benchmark of 425K naturally occurring prompts spanning 17 languages. We overcome the scarcity of naturally occurring toxicity in web-text and ensure coverage across languages with varying resources by automatically scraping over 100M web-text documents. Using PTP, we investigate research questions to study the impact of model size, prompt language, and instruction and preference-tuning methods on toxicity by benchmarking over 60 LLMs. Notably, we find that toxicity increases as language resources decrease or model size increases. Although instruction- and preference-tuning reduce toxicity, the choice of preference-tuning method does not have any significant impact. Our findings shed light on crucial shortcomings of LLM safeguarding and highlight areas for future research.

Considerable effort has been dedicated to mitigating toxicity, but existing methods often require drastic modifications to model parameters or the use of computationally intensive auxiliary models. Furthermore, previous approaches have often neglected the crucial factor of language's evolving nature over time. In this work, we present a comprehensive perspective on toxicity mitigation that takes into account its changing nature. We introduce Goodtriever, a flexible methodology that matches the current state-of-the-art toxicity mitigation while achieving 43% relative latency reduction during inference and being more computationally efficient. By incorporating a retrieval-based approach at decoding time, Goodtriever enables toxicity-controlled text generation. Our research advocates for an increased focus on adaptable mitigation techniques, which better reflect the data drift models face when deployed in the wild. Code and data are available at https://github.com/for-ai/goodtriever.

Large Language Models (LLMs) are powerful text generators, yet they can produce toxic or harmful content even when given seemingly harmless prompts. This presents a serious safety challenge and can cause real-world harm. Toxicity is often subtle and context-dependent, making it difficult to detect at the token level or through coarse sentence-level signals. Moreover, efforts to mitigate toxicity often face a trade-off between safety and the coherence, or fluency of the generated text. In this work, we present a targeted subspace intervention strategy for identifying and suppressing hidden toxic patterns from underlying model representations, while preserving overall ability to generate safe fluent content. On the RealToxicityPrompts, our method achieves strong mitigation performance compared to existing baselines, with minimal impact on inference complexity. Across multiple LLMs, our approach reduces toxicity of state-of-the-art detoxification systems by 8-20%, while maintaining comparable fluency. Through extensive quantitative and qualitative analyses, we show that our approach achieves effective toxicity reduction without impairing generative performance, consistently outperforming existing baselines.

Large Language Models (LLMs) have demonstrated great potential as generalist assistants, showcasing powerful task understanding and problem-solving capabilities. To deploy LLMs as AI assistants, it is crucial that these models exhibit desirable behavioral traits, such as non-toxicity and resilience against jailbreak attempts. Current methods for detoxification or preventing jailbreaking usually involve Supervised Fine-Tuning (SFT) or Reinforcement Learning from Human Feedback (RLHF), which requires finetuning billions of parameters through gradient descent with substantial computation cost. Furthermore, models modified through SFT and RLHF may deviate from the pretrained models, potentially leading to a degradation in foundational LLM capabilities. In this paper, we observe that surprisingly, directly editing a small subset of parameters can effectively modulate specific behaviors of LLMs, such as detoxification and resistance to jailbreaking. Specifically, for a behavior that we aim to avoid, we employ a linear classifier, which we term the behavior probe, to classify binary behavior labels within the hidden state space of the LLM. Using this probe, we introduce an algorithm to identify a critical subset of LLM parameters that significantly influence this targeted behavior. Then we directly edit these selected parameters by shifting them towards the behavior probe. Such a direct parameter editing method necessitates only inference-level computational resources. Experiments demonstrate that in the representative detoxification task, our approach achieves reductions of up to 90.0\% in toxicity on the RealToxicityPrompts dataset and 49.2\% on ToxiGen, while maintaining the LLM's general capabilities in areas such as common sense, question answering, and mathematics. Our code is available at https://github.com/lucywang720/model-surgery.

Toxic language includes content that is offensive, abusive, or that promotes harm. Progress in preventing toxic output from large language models (LLMs) is hampered by inconsistent definitions of toxicity. We introduce TRuST, a large-scale dataset that unifies and expands prior resources through a carefully synthesized definition of toxicity, and corresponding annotation scheme. It consists of ~300k annotations, with high-quality human annotation on ~11k. To ensure high-quality, we designed a rigorous, multi-stage human annotation process, and evaluated the diversity of the annotators. Then we benchmarked state-of-the-art LLMs and pre-trained models on three tasks: toxicity detection, identification of the target group, and of toxic words. Our results indicate that fine-tuned PLMs outperform LLMs on the three tasks, and that current reasoning models do not reliably improve performance. TRuST constitutes one of the most comprehensive resources for evaluating and mitigating LLM toxicity, and other research in socially-aware and safer language technologies.

Pretraining datasets are foundational to the development of multimodal models, yet they often have inherent biases and toxic content from the web-scale corpora they are sourced from. In this paper, we investigate the prevalence of toxicity in LLaVA image-text pretraining dataset, examining how harmful content manifests in different modalities. We present a comprehensive analysis of common toxicity categories and propose targeted mitigation strategies, resulting in the creation of a refined toxicity-mitigated dataset. This dataset removes 7,531 of toxic image-text pairs in the LLaVA pre-training dataset. We offer guidelines for implementing robust toxicity detection pipelines. Our findings underscore the need to actively identify and filter toxic content - such as hate speech, explicit imagery, and targeted harassment - to build more responsible and equitable multimodal systems. The toxicity-mitigated dataset is open source and is available for further research.

This paper presents Tiny-toxic-detector, a compact transformer-based model designed for toxic content detection. Despite having only 2.1 million parameters, Tiny-toxic-detector achieves competitive performance on benchmark datasets, with 90.97% accuracy on ToxiGen and 86.98% accuracy on the Jigsaw dataset, rivaling models over 50 times its size. This efficiency enables deployment in resource-constrained environments, addressing the need for effective content moderation tools that balance performance with computational efficiency. The model architecture features 4 transformer encoder layers, each with 2 attention heads, an embedding dimension of 64, and a feedforward dimension of 128. Trained on both public and private datasets, Tiny-toxic-detector demonstrates the potential of efficient, task-specific models for addressing online toxicity. The paper covers the model architecture, training process, performance benchmarks, and limitations, underscoring its suitability for applications such as social media monitoring and content moderation. By achieving results comparable to much larger models while significantly reducing computational demands, Tiny-toxic-detector represents progress toward more sustainable and scalable AI-driven content moderation solutions.

Pretrained neural language models (LMs) are prone to generating racist, sexist, or otherwise toxic language which hinders their safe deployment. We investigate the extent to which pretrained LMs can be prompted to generate toxic language, and the effectiveness of controllable text generation algorithms at preventing such toxic degeneration. We create and release RealToxicityPrompts, a dataset of 100K naturally occurring, sentence-level prompts derived from a large corpus of English web text, paired with toxicity scores from a widely-used toxicity classifier. Using RealToxicityPrompts, we find that pretrained LMs can degenerate into toxic text even from seemingly innocuous prompts. We empirically assess several controllable generation methods, and find that while data- or compute-intensive methods (e.g., adaptive pretraining on non-toxic data) are more effective at steering away from toxicity than simpler solutions (e.g., banning "bad" words), no current method is failsafe against neural toxic degeneration. To pinpoint the potential cause of such persistent toxic degeneration, we analyze two web text corpora used to pretrain several LMs (including GPT-2; Radford et. al, 2019), and find a significant amount of offensive, factually unreliable, and otherwise toxic content. Our work provides a test bed for evaluating toxic generations by LMs and stresses the need for better data selection processes for pretraining.

Large Language Models (LLMs) and Vision Language Models (VLMs) have recently shown promising capabilities in various scientific domain. In particular, these advances have opened new opportunities in drug discovery, where the ability to understand and modify molecular structures is critical for optimizing drug properties such as efficacy and toxicity. However, existing models and benchmarks often overlook toxicity-related challenges, focusing primarily on general property optimization without adequately addressing safety concerns. In addition, even existing toxicity repair benchmarks suffer from limited data diversity, low structural validity of generated molecules, and heavy reliance on proxy models for toxicity assessment. To address these limitations, we propose MolDeTox, a novel benchmark for molecular detoxification, designed to enable fine-grained and reliable evaluation of toxicity-aware molecular optimization across stepwise tasks. We evaluate a wide range of general-purpose LLMs and VLMs under diverse settings, and demonstrate that understanding and generating molecules at the fragment-level improves structural validity and enhances the quality of generated molecules. Moreover, through detailed task-level performance analysis, MolDeTox provides an interpretable benchmark that enables a deeper understanding of the detoxification process. Our dataset is available at : https://huggingface.co/datasets/MolDeTox/MolDeTox

Detecting toxic content using language models is crucial yet challenging. While substantial progress has been made in English, toxicity detection in French remains underdeveloped, primarily due to the lack of culturally relevant, large-scale datasets. In this work, we introduce TOXIFRENCH, a new public benchmark of 53,622 French online comments, constructed via a semi-automated annotation pipeline that reduces manual labeling to only 10% through high-confidence LLM-based pre-annotation and human verification. Then, we benchmark a broad range of models and uncover a counterintuitive insight: Small Language Models (SLMs) outperform many larger models in robustness and generalization under the toxicity detection task. Motivated by this finding, we propose a novel Chain-of-Thought (CoT) fine-tuning strategy using a dynamic weighted loss that progressively emphasizes the model's final decision, significantly improving faithfulness. Our fine-tuned 4B model achieves state-of-the-art performance, improving its F1 score by 13% over its baseline and outperforming LLMs such as GPT-40 and Gemini-2.5. Further evaluation on a cross-lingual toxicity benchmark demonstrates strong multilingual ability, suggesting that our methodology can be effectively extended to other languages and safety-critical classification tasks.

The discourse around toxicity and LLMs in NLP largely revolves around detection tasks. This work shifts the focus to evaluating LLMs' reasoning about toxicity -- from their explanations that justify a stance -- to enhance their trustworthiness in downstream tasks. Despite extensive research on explainability, it is not straightforward to adopt existing methods to evaluate free-form toxicity explanation due to their over-reliance on input text perturbations, among other challenges. To account for these, we propose a novel, theoretically-grounded multi-dimensional criterion, Human-Aligned Faithfulness (HAF), that measures the extent to which LLMs' free-form toxicity explanations align with those of a rational human under ideal conditions. We develop six metrics, based on uncertainty quantification, to comprehensively evaluate \haf of LLMs' toxicity explanations with no human involvement, and highlight how "non-ideal" the explanations are. We conduct several experiments on three Llama models (of size up to 70B) and an 8B Ministral model on five diverse toxicity datasets. Our results show that while LLMs generate plausible explanations to simple prompts, their reasoning about toxicity breaks down when prompted about the nuanced relations between the complete set of reasons, the individual reasons, and their toxicity stances, resulting in inconsistent and nonsensical responses. We open-source our code and LLM-generated explanations at https://github.com/uofthcdslab/HAF.

Automatic toxic language detection is critical for creating safe, inclusive online spaces. However, it is a highly subjective task, with perceptions of toxic language shaped by community norms and lived experience. Existing toxicity detection models are typically trained on annotations that collapse diverse annotator perspectives into a single ground truth, erasing important context-specific notions of toxicity such as reclaimed language. To address this, we introduce MODELCITIZENS, a dataset of 6.8K social media posts and 40K toxicity annotations across diverse identity groups. To capture the role of conversational context on toxicity, typical of social media posts, we augment MODELCITIZENS posts with LLM-generated conversational scenarios. State-of-the-art toxicity detection tools (e.g. OpenAI Moderation API, GPT-o4-mini) underperform on MODELCITIZENS, with further degradation on context-augmented posts. Finally, we release LLAMACITIZEN-8B and GEMMACITIZEN-12B, LLaMA- and Gemma-based models finetuned on MODELCITIZENS, which outperform GPT-o4-mini by 5.5% on in-distribution evaluations. Our findings highlight the importance of community-informed annotation and modeling for inclusive content moderation. The data, models and code are available at https://github.com/asuvarna31/modelcitizens.

The open-endedness of large language models (LLMs) combined with their impressive capabilities may lead to new safety issues when being exploited for malicious use. While recent studies primarily focus on probing toxic outputs that can be easily detected with existing toxicity classifiers, we show that LLMs can generate diverse implicit toxic outputs that are exceptionally difficult to detect via simply zero-shot prompting. Moreover, we propose a reinforcement learning (RL) based attacking method to further induce the implicit toxicity in LLMs. Specifically, we optimize the language model with a reward that prefers implicit toxic outputs to explicit toxic and non-toxic ones. Experiments on five widely-adopted toxicity classifiers demonstrate that the attack success rate can be significantly improved through RL fine-tuning. For instance, the RL-finetuned LLaMA-13B model achieves an attack success rate of 90.04% on BAD and 62.85% on Davinci003. Our findings suggest that LLMs pose a significant threat in generating undetectable implicit toxic outputs. We further show that fine-tuning toxicity classifiers on the annotated examples from our attacking method can effectively enhance their ability to detect LLM-generated implicit toxic language. The code is publicly available at https://github.com/thu-coai/Implicit-Toxicity.

Despite the considerable advancements in English LLMs, the progress in building comparable models for other languages has been hindered due to the scarcity of tailored resources. Our work aims to bridge this divide by introducing an expansive suite of resources specifically designed for the development of Indic LLMs, covering 22 languages, containing a total of 251B tokens and 74.8M instruction-response pairs. Recognizing the importance of both data quality and quantity, our approach combines highly curated manually verified data, unverified yet valuable data, and synthetic data. We build a clean, open-source pipeline for curating pre-training data from diverse sources, including websites, PDFs, and videos, incorporating best practices for crawling, cleaning, flagging, and deduplication. For instruction-fine tuning, we amalgamate existing Indic datasets, translate/transliterate English datasets into Indian languages, and utilize LLaMa2 and Mixtral models to create conversations grounded in articles from Indian Wikipedia and Wikihow. Additionally, we address toxicity alignment by generating toxic prompts for multiple scenarios and then generate non-toxic responses by feeding these toxic prompts to an aligned LLaMa2 model. We hope that the datasets, tools, and resources released as a part of this work will not only propel the research and development of Indic LLMs but also establish an open-source blueprint for extending such efforts to other languages. The data and other artifacts created as part of this work are released with permissive licenses.

Large language models (LM) generate remarkably fluent text and can be efficiently adapted across NLP tasks. Measuring and guaranteeing the quality of generated text in terms of safety is imperative for deploying LMs in the real world; to this end, prior work often relies on automatic evaluation of LM toxicity. We critically discuss this approach, evaluate several toxicity mitigation strategies with respect to both automatic and human evaluation, and analyze consequences of toxicity mitigation in terms of model bias and LM quality. We demonstrate that while basic intervention strategies can effectively optimize previously established automatic metrics on the RealToxicityPrompts dataset, this comes at the cost of reduced LM coverage for both texts about, and dialects of, marginalized groups. Additionally, we find that human raters often disagree with high automatic toxicity scores after strong toxicity reduction interventions -- highlighting further the nuances involved in careful evaluation of LM toxicity.

Modern Large Language Models (LLMs) are excellent at generating synthetic data. However, their performance in sensitive domains such as text detoxification has not received proper attention from the scientific community. This paper explores the possibility of using LLM-generated synthetic toxic data as an alternative to human-generated data for training models for detoxification. Using Llama 3 and Qwen activation-patched models, we generated synthetic toxic counterparts for neutral texts from ParaDetox and SST-2 datasets. Our experiments show that models fine-tuned on synthetic data consistently perform worse than those trained on human data, with a drop in performance of up to 30% in joint metrics. The root cause is identified as a critical lexical diversity gap: LLMs generate toxic content using a small, repetitive vocabulary of insults that fails to capture the nuances and variety of human toxicity. These findings highlight the limitations of current LLMs in this domain and emphasize the continued importance of diverse, human-annotated data for building robust detoxification systems.

Existing toxic detection models face significant limitations, such as lack of transparency, customization, and reproducibility. These challenges stem from the closed-source nature of their training data and the paucity of explanations for their evaluation mechanism. To address these issues, we propose a dataset creation mechanism that integrates voting and chain-of-thought processes, producing a high-quality open-source dataset for toxic content detection. Our methodology ensures diverse classification metrics for each sample and includes both classification scores and explanatory reasoning for the classifications. We utilize the dataset created through our proposed mechanism to train our model, which is then compared against existing widely-used detectors. Our approach not only enhances transparency and customizability but also facilitates better fine-tuning for specific use cases. This work contributes a robust framework for developing toxic content detection models, emphasizing openness and adaptability, thus paving the way for more effective and user-specific content moderation solutions.

Large language models (LLMs) have become integral to various real-world applications, leveraging massive, web-sourced datasets like Common Crawl, C4, and FineWeb for pretraining. While these datasets provide linguistic data essential for high-quality natural language generation, they often contain harmful content, such as hate speech, misinformation, and biased narratives. Training LLMs on such unfiltered data risks perpetuating toxic behaviors, spreading misinformation, and amplifying societal biases which can undermine trust in LLM-driven applications and raise ethical concerns about their use. This paper presents a large-scale analysis of inappropriate content across these datasets, offering a comprehensive taxonomy that categorizes harmful webpages into Topical and Toxic based on their intent. We also introduce a prompt evaluation dataset, a high-accuracy Topical and Toxic Prompt (TTP), and a transformer-based model (HarmFormer) for content filtering. Additionally, we create a new multi-harm open-ended toxicity benchmark (HAVOC) and provide crucial insights into how models respond to adversarial toxic inputs. Upon publishing, we will also opensource our model signal on the entire C4 dataset. Our work offers insights into ensuring safer LLM pretraining and serves as a resource for Responsible AI (RAI) compliance.

Large Language Models (LLMs) such as ChatGPT, have gained significant attention due to their impressive natural language processing capabilities. It is crucial to prioritize human-centered principles when utilizing these models. Safeguarding the ethical and moral compliance of LLMs is of utmost importance. However, individual ethical issues have not been well studied on the latest LLMs. Therefore, this study aims to address these gaps by introducing a new benchmark -- TrustGPT. TrustGPT provides a comprehensive evaluation of LLMs in three crucial areas: toxicity, bias, and value-alignment. Initially, TrustGPT examines toxicity in language models by employing toxic prompt templates derived from social norms. It then quantifies the extent of bias in models by measuring quantifiable toxicity values across different groups. Lastly, TrustGPT assesses the value of conversation generation models from both active value-alignment and passive value-alignment tasks. Through the implementation of TrustGPT, this research aims to enhance our understanding of the performance of conversation generation models and promote the development of language models that are more ethical and socially responsible.

Added toxicity in the context of translation refers to the fact of producing a translation output with more toxicity than there exists in the input. In this paper, we present MinTox which is a novel pipeline to identify added toxicity and mitigate this issue which works at inference time. MinTox uses a toxicity detection classifier which is multimodal (speech and text) and works in languages at scale. The mitigation method is applied to languages at scale and directly in text outputs. MinTox is applied to SEAMLESSM4T, which is the latest multimodal and massively multilingual machine translation system. For this system, MinTox achieves significant added toxicity mitigation across domains, modalities and language directions. MinTox manages to approximately filter out from 25% to 95% of added toxicity (depending on the modality and domain) while keeping translation quality.

Traditional toxicity detection models have focused on the single utterance level without deeper understanding of context. We introduce CONDA, a new dataset for in-game toxic language detection enabling joint intent classification and slot filling analysis, which is the core task of Natural Language Understanding (NLU). The dataset consists of 45K utterances from 12K conversations from the chat logs of 1.9K completed Dota 2 matches. We propose a robust dual semantic-level toxicity framework, which handles utterance and token-level patterns, and rich contextual chatting history. Accompanying the dataset is a thorough in-game toxicity analysis, which provides comprehensive understanding of context at utterance, token, and dual levels. Inspired by NLU, we also apply its metrics to the toxicity detection tasks for assessing toxicity and game-specific aspects. We evaluate strong NLU models on CONDA, providing fine-grained results for different intent classes and slot classes. Furthermore, we examine the coverage of toxicity nature in our dataset by comparing it with other toxicity datasets.

Pre-trained language models (LMs) are shown to easily generate toxic language. In this work, we systematically explore domain-adaptive training to reduce the toxicity of language models. We conduct this study on three dimensions: training corpus, model size, and parameter efficiency. For the training corpus, we propose to leverage the generative power of LMs and generate nontoxic datasets for domain-adaptive training, which mitigates the exposure bias and is shown to be more data-efficient than using a curated pre-training corpus. We demonstrate that the self-generation method consistently outperforms the existing baselines across various model sizes on both automatic and human evaluations, even when it uses a 1/3 smaller training corpus. We then comprehensively study detoxifying LMs with parameter sizes ranging from 126M up to 530B (3x larger than GPT-3), a scale that has never been studied before. We find that i) large LMs have similar toxicity levels as smaller ones given the same pre-training corpus, and ii) large LMs require more endeavor to detoxify. We also explore parameter-efficient training methods for detoxification. We demonstrate that adding and training adapter-only layers in LMs not only saves a lot of parameters but also achieves a better trade-off between toxicity and perplexity than whole model adaptation for the large-scale models.

This paper investigates using knowledge editing techniques to detoxify Large Language Models (LLMs). We construct a benchmark, SafeEdit, which covers nine unsafe categories with various powerful attack prompts and equips comprehensive metrics for systematic evaluation. We conduct experiments to compare knowledge editing approaches with previous baselines, indicating that knowledge editing has the potential to efficiently detoxify LLMs with limited impact on general performance. Then, we propose a simple yet effective baseline, dubbed Detoxifying with Intraoperative Neural Monitoring (DINM), to diminish the toxicity of LLMs within a few tuning steps via only one instance. We further provide an in-depth analysis of the internal mechanism for various detoxify approaches, demonstrating that previous methods like SFT and DPO may merely suppress the activations of toxic parameters, while DINM mitigates the toxicity of the toxic parameters to a certain extent, making permanent adjustments. We hope that these insights could shed light on future work of developing detoxifying approaches and the underlying knowledge mechanisms of LLMs. Code and benchmark are available at https://github.com/zjunlp/EasyEdit.

Large Language Models (LLMs) are increasingly used for toxicity assessment in online moderation systems, where fairness across demographic groups is essential for equitable treatment. However, LLMs often produce inconsistent toxicity judgements for subtle expressions, particularly those involving implicit hate speech, revealing underlying biases that are difficult to correct through standard training. This raises a key question that existing approaches often overlook: when should corrective mechanisms be invoked to ensure fair and reliable assessments? To address this, we propose FairToT, an inference-time framework that enhances LLM fairness through prompt-guided toxicity assessment. FairToT identifies cases where demographic-related variation is likely to occur and determines when additional assessment should be applied. In addition, we introduce two interpretable fairness indicators that detect such cases and improve inference consistency without modifying model parameters. Experiments on benchmark datasets show that FairToT reduces group-level disparities while maintaining stable and reliable toxicity predictions, demonstrating that inference-time refinement offers an effective and practical approach for fairness improvement in LLM-based toxicity assessment systems. The source code can be found at https://aisuko.github.io/fair-tot/.

Large Language Models (LLMs) have demonstrated remarkable capabilities in generating human-like text, but their output may not be aligned with the user or even produce harmful content. This paper presents a novel approach to detect and steer concepts such as toxicity before generation. We introduce the Sparse Conditioned Autoencoder (SCAR), a single trained module that extends the otherwise untouched LLM. SCAR ensures full steerability, towards and away from concepts (e.g., toxic content), without compromising the quality of the model's text generation on standard evaluation benchmarks. We demonstrate the effective application of our approach through a variety of concepts, including toxicity, safety, and writing style alignment. As such, this work establishes a robust framework for controlling LLM generations, ensuring their ethical and safe deployment in real-world applications.

Caution: This paper includes offensive words that could potentially cause unpleasantness. The fast-paced evolution of generative language models such as GPT-4 has demonstrated outstanding results in various NLP generation tasks. However, due to the potential generation of offensive words related to race or gender, various Controllable Text Generation (CTG) methods have been proposed to mitigate the occurrence of harmful words. However, existing CTG methods not only reduce toxicity but also negatively impact several aspects of the language model's generation performance, including topic consistency, grammar, and perplexity. This paper explores the limitations of previous methods and introduces a novel solution in the form of a simple Gated Toxicity Avoidance (GTA) that can be applied to any CTG method. We also evaluate the effectiveness of the proposed GTA by comparing it with state-of-the-art CTG methods across various datasets. Our findings reveal that gated toxicity avoidance efficiently achieves comparable levels of toxicity reduction to the original CTG methods while preserving the generation performance of the language model.

Even with various regulations in place across countries and social media platforms (Government of India, 2021; European Parliament and Council of the European Union, 2022, digital abusive speech remains a significant issue. One potential approach to address this challenge is automatic text detoxification, a text style transfer (TST) approach that transforms toxic language into a more neutral or non-toxic form. To date, the availability of parallel corpora for the text detoxification task (Logachevavet al., 2022; Atwell et al., 2022; Dementievavet al., 2024a) has proven to be crucial for state-of-the-art approaches. With this work, we extend parallel text detoxification corpus to new languages -- German, Chinese, Arabic, Hindi, and Amharic -- testing in the extensive multilingual setup TST baselines. Next, we conduct the first of its kind an automated, explainable analysis of the descriptive features of both toxic and non-toxic sentences, diving deeply into the nuances, similarities, and differences of toxicity and detoxification across 9 languages. Finally, based on the obtained insights, we experiment with a novel text detoxification method inspired by the Chain-of-Thoughts reasoning approach, enhancing the prompting process through clustering on relevant descriptive attributes.

The proliferation of online toxic speech is a pertinent problem posing threats to demographic groups. While explicit toxic speech contains offensive lexical signals, implicit one consists of coded or indirect language. Therefore, it is crucial for models not only to detect implicit toxic speech but also to explain its toxicity. This draws a unique need for unified frameworks that can effectively detect and explain implicit toxic speech. Prior works mainly formulated the task of toxic speech detection and explanation as a text generation problem. Nonetheless, models trained using this strategy can be prone to suffer from the consequent error propagation problem. Moreover, our experiments reveal that the detection results of such models are much lower than those that focus only on the detection task. To bridge these gaps, we introduce ToXCL, a unified framework for the detection and explanation of implicit toxic speech. Our model consists of three modules: a (i) Target Group Generator to generate the targeted demographic group(s) of a given post; an (ii) Encoder-Decoder Model in which the encoder focuses on detecting implicit toxic speech and is boosted by a (iii) Teacher Classifier via knowledge distillation, and the decoder generates the necessary explanation. ToXCL achieves new state-of-the-art effectiveness, and outperforms baselines significantly.

Large language models (LLMs) and small language models (SLMs) are being adopted at remarkable speed, although their safety still remains a serious concern. With the advent of multilingual S/LLMs, the question now becomes a matter of scale: can we expand multilingual safety evaluations of these models with the same velocity at which they are deployed? To this end we introduce RTP-LX, a human-transcreated and human-annotated corpus of toxic prompts and outputs in 28 languages. RTP-LX follows participatory design practices, and a portion of the corpus is especially designed to detect culturally-specific toxic language. We evaluate seven S/LLMs on their ability to detect toxic content in a culturally-sensitive, multilingual scenario. We find that, although they typically score acceptably in terms of accuracy, they have low agreement with human judges when judging holistically the toxicity of a prompt, and have difficulty discerning harm in context-dependent scenarios, particularly with subtle-yet-harmful content (e.g. microagressions, bias). We release of this dataset to contribute to further reduce harmful uses of these models and improve their safe deployment.

Recent alignment algorithms such as direct preference optimization (DPO) have been developed to improve the safety of large language models (LLMs) by training these models to match human behaviors exemplified by preference data. However, these methods are both computationally intensive and lacking in controllability and transparency, making them prone to jailbreaking and inhibiting their widespread use. Furthermore, these tuning-based methods require large-scale preference data for training and are susceptible to noisy preference data. In this paper, we introduce a tuning-free alignment alternative (DeTox) and demonstrate its effectiveness under the use case of toxicity reduction. Grounded on theory from factor analysis, DeTox is a sample-efficient model editing approach that identifies a toxic subspace in the model parameter space and reduces model toxicity by projecting away the detected subspace. The toxic sub-space is identified by extracting preference data embeddings from the language model, and removing non-toxic information from these embeddings. We show that DeTox is more sample-efficient than DPO, further showcasing greater robustness to noisy data. Finally, we establish both theoretical and empirical connections between DeTox and DPO, showing that DeTox can be interpreted as a denoised version of a single DPO step.

Prior works on detoxification are scattered in the sense that they do not cover all aspects of detoxification needed in a real-world scenario. Notably, prior works restrict the task of developing detoxification models to only a seen subset of platforms, leaving the question of how the models would perform on unseen platforms unexplored. Additionally, these works do not address non-detoxifiability, a phenomenon whereby the toxic text cannot be detoxified without altering the meaning. We propose GreenLLaMA, the first comprehensive end-to-end detoxification framework, which attempts to alleviate the aforementioned limitations. We first introduce a cross-platform pseudo-parallel corpus applying multi-step data processing and generation strategies leveraging ChatGPT. We then train a suite of detoxification models with our cross-platform corpus. We show that our detoxification models outperform the SoTA model trained with human-annotated parallel corpus. We further introduce explanation to promote transparency and trustworthiness. GreenLLaMA additionally offers a unique paraphrase detector especially dedicated for the detoxification task to tackle the non-detoxifiable cases. Through experimental analysis, we demonstrate the effectiveness of our cross-platform corpus and the robustness of GreenLLaMA against adversarial toxicity.

Disclaimer: Samples in this paper may be harmful and cause discomfort! Patronizing and condescending language (PCL) is a form of speech directed at vulnerable groups. As an essential branch of toxic language, this type of language exacerbates conflicts and confrontations among Internet communities and detrimentally impacts disadvantaged groups. Traditional pre-trained language models (PLMs) perform poorly in detecting PCL due to its implicit toxicity traits like hypocrisy and false sympathy. With the rise of large language models (LLMs), we can harness their rich emotional semantics to establish a paradigm for exploring implicit toxicity. In this paper, we introduce PclGPT, a comprehensive LLM benchmark designed specifically for PCL. We collect, annotate, and integrate the Pcl-PT/SFT dataset, and then develop a bilingual PclGPT-EN/CN model group through a comprehensive pre-training and supervised fine-tuning staircase process to facilitate implicit toxic detection. Group detection results and fine-grained detection from PclGPT and other models reveal significant variations in the degree of bias in PCL towards different vulnerable groups, necessitating increased societal attention to protect them.

Text detoxification has the potential to mitigate the harms of toxicity by rephrasing text to remove offensive meaning, but subtle toxicity remains challenging to tackle. We introduce MaRCo, a detoxification algorithm that combines controllable generation and text rewriting methods using a Product of Experts with autoencoder language models (LMs). MaRCo uses likelihoods under a non-toxic LM (expert) and a toxic LM (anti-expert) to find candidate words to mask and potentially replace. We evaluate our method on several subtle toxicity and microaggressions datasets, and show that it not only outperforms baselines on automatic metrics, but MaRCo's rewrites are preferred 2.1 times more in human evaluation. Its applicability to instances of subtle toxicity is especially promising, demonstrating a path forward for addressing increasingly elusive online hate.

The real-world impact of polarization and toxicity in the online sphere marked the end of 2020 and the beginning of this year in a negative way. Semeval-2021, Task 5 - Toxic Spans Detection is based on a novel annotation of a subset of the Jigsaw Unintended Bias dataset and is the first language toxicity detection task dedicated to identifying the toxicity-level spans. For this task, participants had to automatically detect character spans in short comments that render the message as toxic. Our model considers applying Virtual Adversarial Training in a semi-supervised setting during the fine-tuning process of several Transformer-based models (i.e., BERT and RoBERTa), in combination with Conditional Random Fields. Our approach leads to performance improvements and more robust models, enabling us to achieve an F1-score of 65.73% in the official submission and an F1-score of 66.13% after further tuning during post-evaluation.

Toxicity in bug report discussions poses significant challenges to the collaborative dynamics of open-source software development. Bug reports are crucial for identifying and resolving defects, yet their inherently problem-focused nature and emotionally charged context make them susceptible to toxic interactions. This study explores toxicity in GitHub bug reports through a qualitative analysis of 203 bug threads, including 81 toxic ones. Our findings reveal that toxicity frequently arises from misaligned perceptions of bug severity and priority, unresolved frustrations with tools, and lapses in professional communication. These toxic interactions not only derail productive discussions but also reduce the likelihood of actionable outcomes, such as linking issues with pull requests. Our preliminary findings offer actionable recommendations to improve bug resolution by mitigating toxicity.

As large language models become increasingly integrated into daily life, detecting implicit toxicity across diverse contexts is crucial. To this end, we introduce LifeTox, a dataset designed for identifying implicit toxicity within a broad range of advice-seeking scenarios. Unlike existing safety datasets, LifeTox comprises diverse contexts derived from personal experiences through open-ended questions. Experiments demonstrate that RoBERTa fine-tuned on LifeTox matches or surpasses the zero-shot performance of large language models in toxicity classification tasks. These results underscore the efficacy of LifeTox in addressing the complex challenges inherent in implicit toxicity.

Large Language Models (LLMs) are increasingly embedded in autonomous agents that engage, converse, and co-evolve in online social platforms. While prior work has documented the generation of toxic content by LLMs, far less is known about how exposure to harmful content shapes agent behavior over time, particularly in environments composed entirely of interacting AI agents. In this work, we study toxicity adoption of LLM-driven agents on Chirper.ai, a fully AI-driven social platform. Specifically, we model interactions in terms of stimuli (posts) and responses (comments). We conduct a large-scale empirical analysis of agent behavior, examining how toxic responses relate to toxic stimuli, how repeated exposure to toxicity affects the likelihood of toxic responses, and whether toxic behavior can be predicted from exposure alone. Our findings show that toxic responses are more likely following toxic stimuli, and, at the same time, cumulative toxic exposure (repeated over time) significantly increases the probability of toxic responding. We further introduce two influence metrics, revealing a strong negative correlation between induced and spontaneous toxicity. Finally, we show that the number of toxic stimuli alone enables accurate prediction of whether an agent will eventually produce toxic content. These results highlight exposure as a critical risk factor in the deployment of LLM agents, particularly as such agents operate in online environments where they may engage not only with other AI chatbots, but also with human counterparts. This could trigger unwanted and pernicious phenomena, such as hate-speech propagation and cyberbullying. In an effort to reduce such risks, monitoring exposure to toxic content may provide a lightweight yet effective mechanism for auditing and mitigating harmful behavior in the wild.

To date, toxicity mitigation in language models has almost entirely been focused on single-language settings. As language models embrace multilingual capabilities, it's crucial our safety measures keep pace. Recognizing this research gap, our approach expands the scope of conventional toxicity mitigation to address the complexities presented by multiple languages. In the absence of sufficient annotated datasets across languages, we employ translated data to evaluate and enhance our mitigation techniques. We also compare finetuning mitigation approaches against retrieval-augmented techniques under both static and continual toxicity mitigation scenarios. This allows us to examine the effects of translation quality and the cross-lingual transfer on toxicity mitigation. We also explore how model size and data quantity affect the success of these mitigation efforts. Covering nine languages, our study represents a broad array of linguistic families and levels of resource availability, ranging from high to mid-resource languages. Through comprehensive experiments, we provide insights into the complexities of multilingual toxicity mitigation, offering valuable insights and paving the way for future research in this increasingly important field. Code and data are available at https://github.com/for-ai/goodtriever.

Acute poly-substance intoxication requires rapid, life-saving decisions under substantial uncertainty, as clinicians must rely on incomplete ingestion details and nonspecific symptoms. Effective diagnostic reasoning in this chaotic environment requires fusing unstructured, non-medical narratives (e.g. paramedic scene descriptions and unreliable patient self-reports or known histories), with structured medical data like vital signs. While Large Language Models (LLMs) show potential for processing such heterogeneous inputs, they struggle in this setting, often underperforming simple baselines that rely solely on patient histories. To address this, we present DeToxR (Decision-support for Toxicology with Reasoning), the first adaptation of Reinforcement Learning (RL) to emergency toxicology. We design a robust data-fusion engine for multi-label prediction across 14 substance classes based on an LLM finetuned with Group Relative Policy Optimization (GRPO). We optimize the model's reasoning directly using a clinical performance reward. By formulating a multi-label agreement metric as the reward signal, the model is explicitly penalized for missing co-ingested substances and hallucinating absent poisons. Our model significantly outperforms its unadapted base LLM counterpart and supervised baselines. Furthermore, in a clinical validation study, the model indicates a clinical advantage by outperforming an expert toxicologist in identifying the correct poisons (Micro-F1: 0.644 vs. 0.473). These results demonstrate the potential of RL-aligned LLMs to synthesize unstructured pre-clinical narratives and structured medical data for decision support in high-stakes environments.

Large language models (LLMs) have shown incredible capabilities and transcended the natural language processing (NLP) community, with adoption throughout many services like healthcare, therapy, education, and customer service. Since users include people with critical information needs like students or patients engaging with chatbots, the safety of these systems is of prime importance. Therefore, a clear understanding of the capabilities and limitations of LLMs is necessary. To this end, we systematically evaluate toxicity in over half a million generations of ChatGPT, a popular dialogue-based LLM. We find that setting the system parameter of ChatGPT by assigning it a persona, say that of the boxer Muhammad Ali, significantly increases the toxicity of generations. Depending on the persona assigned to ChatGPT, its toxicity can increase up to 6x, with outputs engaging in incorrect stereotypes, harmful dialogue, and hurtful opinions. This may be potentially defamatory to the persona and harmful to an unsuspecting user. Furthermore, we find concerning patterns where specific entities (e.g., certain races) are targeted more than others (3x more) irrespective of the assigned persona, that reflect inherent discriminatory biases in the model. We hope that our findings inspire the broader AI community to rethink the efficacy of current safety guardrails and develop better techniques that lead to robust, safe, and trustworthy AI systems.

Safety fine-tuning algorithms are commonly used to fine-tune language models to reduce harmful outputs, but the exact internal mechanisms of how those models achieve this remain unclear. In studying direct preference optimisation (DPO) for toxicity reduction, current explanations claim that DPO works by dampening the most toxic MLP neurons to learn an offset to avert toxic regions in the residual stream. However, by ablating the most toxic neurons and applying activation patching, we find this explanation incomplete. By projecting neuron activation changes onto a toxicity probe, we find that only 31.8\% of toxicity reduction comes from dampened toxic neurons. Instead, DPO reduces toxicity by accumulating effects across multiple neuron groups, both reducing writing in the toxic direction and promoting anti-toxicity in the residual stream. Moreover, DPO gives noisy adjustments to neuron activations, with many neurons actually increasing toxicity. This indicates that DPO is a balancing process between opposing neuron effects to achieve toxicity reduction.

Open-source large language models are becoming increasingly available and popular among researchers and practitioners. While significant progress has been made on open-weight models, open training data is a practice yet to be adopted by the leading open-weight models creators. At the same time, there researchers are working to make language models safer. We propose a data curation pipeline to reduce harmful outputs by models trained on public domain data. There are unique challenges to working with public domain data, as these sources differ from web text in both form and content. Many sources are historical documents and are the result of Optical Character Recognition (OCR). Consequently, current state-of-the-art approaches to toxicity filtering are often infeasible or inappropriate for open data models. In this paper, we introduce a new fully open-source pipeline for open-data toxicity filtering. Our contributions are threefold. We create a custom training dataset, ToxicCommons, which is composed of texts which have been classified across five different dimensions (racial/origin-based, gender/sex-based, religious, ability-based discrimination, and violence). We use this dataset to train a custom classifier, Celadon, that can be used to detect toxic content in open data more efficiently at a larger scale. Finally, we describe the balanced approach to content filtration that optimizes safety filtering with respect to the filtered data available for training.

Workplace toxicity is widely recognized as detrimental to organizational culture, yet quantifying its direct impact on operational efficiency remains methodologically challenging due to the ethical and practical difficulties of reproducing conflict in human subjects. This study leverages Large Language Model (LLM) based Multi-Agent Systems to simulate 1-on-1 adversarial debates, creating a controlled "sociological sandbox". We employ a Monte Carlo method to simulate hundrets of discussions, measuring the convergence time (defined as the number of arguments required to reach a conclusion) between a baseline control group and treatment groups involving agents with "toxic" system prompts. Our results demonstrate a statistically significant increase of approximately 25\% in the duration of conversations involving toxic participants. We propose that this "latency of toxicity" serves as a proxy for financial damage in corporate and academic settings. Furthermore, we demonstrate that agent-based modeling provides a reproducible, ethical alternative to human-subject research for measuring the mechanics of social friction.

Toxic language detection systems often falsely flag text that contains minority group mentions as toxic, as those groups are often the targets of online hate. Such over-reliance on spurious correlations also causes systems to struggle with detecting implicitly toxic language. To help mitigate these issues, we create ToxiGen, a new large-scale and machine-generated dataset of 274k toxic and benign statements about 13 minority groups. We develop a demonstration-based prompting framework and an adversarial classifier-in-the-loop decoding method to generate subtly toxic and benign text with a massive pretrained language model. Controlling machine generation in this way allows ToxiGen to cover implicitly toxic text at a larger scale, and about more demographic groups, than previous resources of human-written text. We conduct a human evaluation on a challenging subset of ToxiGen and find that annotators struggle to distinguish machine-generated text from human-written language. We also find that 94.5% of toxic examples are labeled as hate speech by human annotators. Using three publicly-available datasets, we show that finetuning a toxicity classifier on our data improves its performance on human-written data substantially. We also demonstrate that ToxiGen can be used to fight machine-generated toxicity as finetuning improves the classifier significantly on our evaluation subset. Our code and data can be found at https://github.com/microsoft/ToxiGen.

Neurological diseases are the leading global cause of disability, yet most lack disease-modifying treatments. We present PROTON, a heterogeneous graph transformer that generates testable hypotheses across molecular, organoid, and clinical systems. To evaluate PROTON, we apply it to Parkinson's disease (PD), bipolar disorder (BD), and Alzheimer's disease (AD). In PD, PROTON linked genetic risk loci to genes essential for dopaminergic neuron survival and predicted pesticides toxic to patient-derived neurons, including the insecticide endosulfan, which ranked within the top 1.29% of predictions. In silico screens performed by PROTON reproduced six genome-wide α-synuclein experiments, including a split-ubiquitin yeast two-hybrid system (normalized enrichment score [NES] = 2.30, FDR-adjusted p < 1 times 10^{-4}), an ascorbate peroxidase proximity labeling assay (NES = 2.16, FDR < 1 times 10^{-4}), and a high-depth targeted exome sequencing study in 496 synucleinopathy patients (NES = 2.13, FDR < 1 times 10^{-4}). In BD, PROTON predicted calcitriol as a candidate drug that reversed proteomic alterations observed in cortical organoids derived from BD patients. In AD, we evaluated PROTON predictions in health records from n = 610,524 patients at Mass General Brigham, confirming that five PROTON-predicted drugs were associated with reduced seven-year dementia risk (minimum hazard ratio = 0.63, 95% CI: 0.53-0.75, p < 1 times 10^{-7}). PROTON generated neurological hypotheses that were evaluated across molecular, organoid, and clinical systems, defining a path for AI-driven discovery in neurological disease.

While alignment algorithms are now commonly used to tune pre-trained language models towards a user's preferences, we lack explanations for the underlying mechanisms in which models become ``aligned'', thus making it difficult to explain phenomena like jailbreaks. In this work we study a popular algorithm, direct preference optimization (DPO), and the mechanisms by which it reduces toxicity. Namely, we first study how toxicity is represented and elicited in a pre-trained language model, GPT2-medium. We then apply DPO with a carefully crafted pairwise dataset to reduce toxicity. We examine how the resulting model averts toxic outputs, and find that capabilities learned from pre-training are not removed, but rather bypassed. We use this insight to demonstrate a simple method to un-align the model, reverting it back to its toxic behavior.

Online toxic language causes real harm, especially in regions with limited moderation tools. In this study, we evaluate how large language models handle toxic comments in Serbian, Croatian, and Bosnian, languages with limited labeled data. We built and manually labeled a dataset of 4,500 YouTube and TikTok comments drawn from videos across diverse categories, including music, politics, sports, modeling, influencer content, discussions of sexism, and general topics. Four models (GPT-3.5 Turbo, GPT-4.1, Gemini 1.5 Pro, and Claude 3 Opus) were tested in two modes: zero-shot and context-augmented. We measured precision, recall, F1 score, accuracy and false positive rates. Including a short context snippet raised recall by about 0.12 on average and improved F1 score by up to 0.10, though it sometimes increased false positives. The best balance came from Gemini in context-augmented mode, reaching an F1 score of 0.82 and accuracy of 0.82, while zero-shot GPT-4.1 led on precision and had the lowest false alarms. We show how adding minimal context can improve toxic language detection in low-resource settings and suggest practical strategies such as improved prompt design and threshold calibration. These results show that prompt design alone can yield meaningful gains in toxicity detection for underserved Balkan language communities.

Despite extensive research on toxic speech detection in text, a critical gap remains in handling spoken Mandarin audio. The lack of annotated datasets that capture the unique prosodic cues and culturally specific expressions in Mandarin leaves spoken toxicity underexplored. To address this, we introduce ToxicTone -- the largest public dataset of its kind -- featuring detailed annotations that distinguish both forms of toxicity (e.g., profanity, bullying) and sources of toxicity (e.g., anger, sarcasm, dismissiveness). Our data, sourced from diverse real-world audio and organized into 13 topical categories, mirrors authentic communication scenarios. We also propose a multimodal detection framework that integrates acoustic, linguistic, and emotional features using state-of-the-art speech and emotion encoders. Extensive experiments show our approach outperforms text-only and baseline models, underscoring the essential role of speech-specific cues in revealing hidden toxic expressions.

An important issue with Large Language Models (LLMs) is their undesired ability to generate toxic language. In this work, we show that the neurons responsible for toxicity can be determined by their power to discriminate toxic sentences, and that toxic language can be mitigated by reducing their activation levels proportionally to this power. We propose AUROC adaptation (AurA), an intervention that can be applied to any pre-trained LLM to mitigate toxicity. As the intervention is proportional to the ability of each neuron to discriminate toxic content, it is free of any model-dependent hyperparameters. We show that AurA can achieve up to 2.2 times reduction in toxicity with only a 0.72 perplexity increase. We also show that AurA is effective with models of different scale (from 1.5B to 40B parameters), and its effectiveness in mitigating toxic language, while preserving common-sense zero-shot abilities, holds across all scales. AurA can be combined with pre-prompting strategies, boosting its average mitigation potential from 1.28times to 2.35times. Moreover, AurA can counteract adversarial pre-prompts that maliciously elicit toxic content, making it an effective method for deploying safer and less toxic models.

Large language models (LLMs) frequently generate toxic content, posing significant risks for safe deployment. Current mitigation strategies often degrade generation quality or require costly human annotation. We propose CAUSALDETOX, a framework that identifies and intervenes on the specific attention heads causally responsible for toxic generation. Using the Probability of Necessity and Sufficiency (PNS), we isolate a minimal set of heads that are necessary and sufficient for toxicity. We utilize these components via two complementary strategies: (1) Local Inference-Time Intervention, which constructs dynamic, input-specific steering vectors for context-aware detoxification, and (2) PNS-Guided Fine-Tuning, which permanently unlearns toxic representations. We also introduce PARATOX, a novel benchmark of aligned toxic/non-toxic sentence pairs enabling controlled counterfactual evaluation. Experiments on ToxiGen, ImplicitHate, and ParaDetox show that CAUSALDETOX achieves up to 5.34% greater toxicity reduction compared to baselines while preserving linguistic fluency, and offers a 7x speedup in head selection.

Large language models (LLMs) hold great potential for many natural language applications but risk generating incorrect or toxic content. To probe when an LLM generates unwanted content, the current paradigm is to recruit a red team of human testers to design input prompts (i.e., test cases) that elicit undesirable responses from LLMs. However, relying solely on human testers is expensive and time-consuming. Recent works automate red teaming by training a separate red team LLM with reinforcement learning (RL) to generate test cases that maximize the chance of eliciting undesirable responses from the target LLM. However, current RL methods are only able to generate a small number of effective test cases resulting in a low coverage of the span of prompts that elicit undesirable responses from the target LLM. To overcome this limitation, we draw a connection between the problem of increasing the coverage of generated test cases and the well-studied approach of curiosity-driven exploration that optimizes for novelty. Our method of curiosity-driven red teaming (CRT) achieves greater coverage of test cases while mantaining or increasing their effectiveness compared to existing methods. Our method, CRT successfully provokes toxic responses from LLaMA2 model that has been heavily fine-tuned using human preferences to avoid toxic outputs. Code is available at https://github.com/Improbable-AI/curiosity_redteam

Generic `toxicity' classifiers continue to be used for evaluating the potential for harm in natural language generation, despite mounting evidence of their shortcomings. We consider the challenge of measuring misogyny in natural language generation, and argue that generic `toxicity' classifiers are inadequate for this task. We use data from two well-characterised `Incel' communities on Reddit that differ primarily in their degrees of misogyny to construct a pair of training corpora which we use to fine-tune two language models. We show that an open source `toxicity' classifier is unable to distinguish meaningfully between generations from these models. We contrast this with a misogyny-specific lexicon recently proposed by feminist subject-matter experts, demonstrating that, despite the limitations of simple lexicon-based approaches, this shows promise as a benchmark to evaluate language models for misogyny, and that it is sensitive enough to reveal the known differences in these Reddit communities. Our preliminary findings highlight the limitations of a generic approach to evaluating harms, and further emphasise the need for careful benchmark design and selection in natural language evaluation.

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

Understanding the vulnerabilities of Large Vision Language Models (LVLMs) to jailbreak attacks is essential for their responsible real-world deployment. Most previous work requires access to model gradients, or is based on human knowledge (prompt engineering) to complete jailbreak, and they hardly consider the interaction of images and text, resulting in inability to jailbreak in black box scenarios or poor performance. To overcome these limitations, we propose a Prior-Guided Bimodal Interactive Black-Box Jailbreak Attack for toxicity maximization, referred to as PBI-Attack. Our method begins by extracting malicious features from a harmful corpus using an alternative LVLM and embedding these features into a benign image as prior information. Subsequently, we enhance these features through bidirectional cross-modal interaction optimization, which iteratively optimizes the bimodal perturbations in an alternating manner through greedy search, aiming to maximize the toxicity of the generated response. The toxicity level is quantified using a well-trained evaluation model. Experiments demonstrate that PBI-Attack outperforms previous state-of-the-art jailbreak methods, achieving an average attack success rate of 92.5% across three open-source LVLMs and around 67.3% on three closed-source LVLMs. Disclaimer: This paper contains potentially disturbing and offensive content.

The task of toxicity detection is still a relevant task, especially in the context of safe and fair LMs development. Nevertheless, labeled binary toxicity classification corpora are not available for all languages, which is understandable given the resource-intensive nature of the annotation process. Ukrainian, in particular, is among the languages lacking such resources. To our knowledge, there has been no existing toxicity classification corpus in Ukrainian. In this study, we aim to fill this gap by investigating cross-lingual knowledge transfer techniques and creating labeled corpora by: (i)~translating from an English corpus, (ii)~filtering toxic samples using keywords, and (iii)~annotating with crowdsourcing. We compare LLMs prompting and other cross-lingual transfer approaches with and without fine-tuning offering insights into the most robust and efficient baselines.

This paper focuses on text detoxification, i.e., automatically converting toxic text into non-toxic text. This task contributes to safer and more respectful online communication and can be considered a Text Style Transfer (TST) task, where the text style changes while its content is preserved. We present three approaches: knowledge transfer from a similar task, multi-task learning approach, combining sequence-to-sequence modeling with various toxicity classification tasks, and delete and reconstruct approach. To support our research, we utilize a dataset provided by Dementieva et al.(2021), which contains multiple versions of detoxified texts corresponding to toxic texts. In our experiments, we selected the best variants through expert human annotators, creating a dataset where each toxic sentence is paired with a single, appropriate detoxified version. Additionally, we introduced a small Hindi parallel dataset, aligning with a part of the English dataset, suitable for evaluation purposes. Our results demonstrate that our approach effectively balances text detoxication while preserving the actual content and maintaining fluency.

Large language models (LLMs) are now ubiquitous in user-facing applications, yet they still generate undesirable toxic outputs, including profanity, vulgarity, and derogatory remarks. Although numerous detoxification methods exist, most apply broad, surface-level fixes and can therefore easily be circumvented by jailbreak attacks. In this paper we leverage sparse autoencoders (SAEs) to identify toxicity-related directions in the residual stream of models and perform targeted activation steering using the corresponding decoder vectors. We introduce three tiers of steering aggressiveness and evaluate them on GPT-2 Small and Gemma-2-2B, revealing trade-offs between toxicity reduction and language fluency. At stronger steering strengths, these causal interventions surpass competitive baselines in reducing toxicity by up to 20%, though fluency can degrade noticeably on GPT-2 Small depending on the aggressiveness. Crucially, standard NLP benchmark scores upon steering remain stable, indicating that the model's knowledge and general abilities are preserved. We further show that feature-splitting in wider SAEs hampers safety interventions, underscoring the importance of disentangled feature learning. Our findings highlight both the promise and the current limitations of SAE-based causal interventions for LLM detoxification, further suggesting practical guidelines for safer language-model deployment.

Toxicity in digital media poses significant challenges, yet little attention has been given to its dynamics within the rapidly growing medium of podcasts. This paper addresses this gap by analyzing political podcast data to study the emergence and propagation of toxicity, focusing on conversation chains-structured reply patterns within podcast transcripts. Leveraging state-of-the-art transcription models and advanced conversational analysis techniques, we systematically examine toxic discourse in over 30 popular political podcasts in the United States. Our key contributions include: (1) creating a comprehensive dataset of transcribed and diarized political podcasts, identifying thousands of toxic instances using Google's Perspective API, (2) uncovering concerning trends where a majority of episodes contain at least one toxic instance, (3) introducing toxic conversation chains and analyzing their structural and linguistic properties, revealing characteristics such as longer durations, repetitive patterns, figurative language, and emotional cues tied to anger and annoyance, (4) identifying demand-related words like 'want', 'like', and 'know' as precursors to toxicity, and (5) developing predictive models to anticipate toxicity shifts based on annotated change points. Our findings provide critical insights into podcast toxicity and establish a foundation for future research on real-time monitoring and intervention mechanisms to foster healthier discourse in this influential medium.

Detoxifying offensive language while preserving the speaker's original intent is a challenging yet critical goal for improving the quality of online interactions. Although large language models (LLMs) show promise in rewriting toxic content, they often default to overly polite rewrites, distorting the emotional tone and communicative intent. This problem is especially acute in Chinese, where toxicity often arises implicitly through emojis, homophones, or discourse context. We present ToxiRewriteCN, the first Chinese detoxification dataset explicitly designed to preserve sentiment polarity. The dataset comprises 1,556 carefully annotated triplets, each containing a toxic sentence, a sentiment-aligned non-toxic rewrite, and labeled toxic spans. It covers five real-world scenarios: standard expressions, emoji-induced and homophonic toxicity, as well as single-turn and multi-turn dialogues. We evaluate 17 LLMs, including commercial and open-source models with variant architectures, across four dimensions: detoxification accuracy, fluency, content preservation, and sentiment polarity. Results show that while commercial and MoE models perform best overall, all models struggle to balance safety with emotional fidelity in more subtle or context-heavy settings such as emoji, homophone, and dialogue-based inputs. We release ToxiRewriteCN to support future research on controllable, sentiment-aware detoxification for Chinese.

In recent years, generative artificial intelligence (GenAI) has demonstrated remarkable capabilities in high-stakes domains such as molecular science. However, challenges related to the verifiability and structural privacy of its outputs remain largely unresolved. This paper focuses on the task of molecular toxicity repair. It proposes a structure-private verification framework - ToxiEval-ZKP - which, for the first time, introduces zero-knowledge proof (ZKP) mechanisms into the evaluation process of this task. The system enables model developers to demonstrate to external verifiers that the generated molecules meet multidimensional toxicity repair criteria, without revealing the molecular structures themselves. To this end, we design a general-purpose circuit compatible with both classification and regression tasks, incorporating evaluation logic, Poseidon-based commitment hashing, and a nullifier-based replay prevention mechanism to build a complete end-to-end ZK verification system. Experimental results demonstrate that ToxiEval-ZKP facilitates adequate validation under complete structural invisibility, offering strong circuit efficiency, security, and adaptability, thereby opening up a novel paradigm for trustworthy evaluation in generative scientific tasks.

This paper introduces fourteen novel datasets for the evaluation of Large Language Models' safety in the context of enterprise tasks. A method was devised to evaluate a model's safety, as determined by its ability to follow instructions and output factual, unbiased, grounded, and appropriate content. In this research, we used OpenAI GPT as point of comparison since it excels at all levels of safety. On the open-source side, for smaller models, Meta Llama2 performs well at factuality and toxicity but has the highest propensity for hallucination. Mistral hallucinates the least but cannot handle toxicity well. It performs well in a dataset mixing several tasks and safety vectors in a narrow vertical domain. Gemma, the newly introduced open-source model based on Google Gemini, is generally balanced but trailing behind. When engaging in back-and-forth conversation (multi-turn prompts), we find that the safety of open-source models degrades significantly. Aside from OpenAI's GPT, Mistral is the only model that still performed well in multi-turn tests.

Existing approaches to multilingual text detoxification are hampered by the scarcity of parallel multilingual datasets. In this work, we introduce a pipeline for the generation of multilingual parallel detoxification data. We also introduce SynthDetoxM, a manually collected and synthetically generated multilingual parallel text detoxification dataset comprising 16,000 high-quality detoxification sentence pairs across German, French, Spanish and Russian. The data was sourced from different toxicity evaluation datasets and then rewritten with nine modern open-source LLMs in few-shot setting. Our experiments demonstrate that models trained on the produced synthetic datasets have superior performance to those trained on the human-annotated MultiParaDetox dataset even in data limited setting. Models trained on SynthDetoxM outperform all evaluated LLMs in few-shot setting. We release our dataset and code to help further research in multilingual text detoxification.

Toxic interactions in Open Source Software (OSS) communities reduce contributor engagement and threaten project sustainability. Preventing such toxicity before it emerges requires a clear understanding of how harmful conversations unfold. However, most proactive moderation strategies are manual, requiring significant time and effort from community maintainers. To support more scalable approaches, we curate a dataset of 159 derailed toxic threads and 207 non-toxic threads from GitHub discussions. Our analysis reveals that toxicity can be forecast by tension triggers, sentiment shifts, and specific conversational patterns. We present a novel Large Language Model (LLM)-based framework for predicting conversational derailment on GitHub using a two-step prompting pipeline. First, we generate Summaries of Conversation Dynamics (SCDs) via Least-to-Most (LtM) prompting; then we use these summaries to estimate the likelihood of derailment. Evaluated on Qwen and Llama models, our LtM strategy achieves F1-scores of 0.901 and 0.852, respectively, at a decision threshold of 0.3, outperforming established NLP baselines on conversation derailment. External validation on a dataset of 308 GitHub issue threads (65 toxic, 243 non-toxic) yields an F1-score up to 0.797. Our findings demonstrate the effectiveness of structured LLM prompting for early detection of conversational derailment in OSS, enabling proactive and explainable moderation.

Optimization-based jailbreaks typically adopt the Toxic-Continuation setting in large vision-language models (LVLMs), following the standard next-token prediction objective. In this setting, an adversarial image is optimized to make the model predict the next token of a toxic prompt. However, we find that the Toxic-Continuation paradigm is effective at continuing already-toxic inputs, but struggles to induce safety misalignment when explicit toxic signals are absent. We propose a new paradigm: Benign-to-Toxic (B2T) jailbreak. Unlike prior work, we optimize adversarial images to induce toxic outputs from benign conditioning. Since benign conditioning contains no safety violations, the image alone must break the model's safety mechanisms. Our method outperforms prior approaches, transfers in black-box settings, and complements text-based jailbreaks. These results reveal an underexplored vulnerability in multimodal alignment and introduce a fundamentally new direction for jailbreak approaches.

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is intended to help uncover new, original knowledge and to formulate demonstrably novel research hypotheses and proposals, building upon prior evidence and aligned to scientist-provided research objectives and guidance. The system's design incorporates a generate, debate, and evolve approach to hypothesis generation, inspired by the scientific method and accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute, improving hypothesis quality. While general purpose, we focus development and validation in three biomedical areas: drug repurposing, novel target discovery, and explaining mechanisms of bacterial evolution and anti-microbial resistance. For drug repurposing, the system proposes candidates with promising validation findings, including candidates for acute myeloid leukemia that show tumor inhibition in vitro at clinically applicable concentrations. For novel target discovery, the AI co-scientist proposed new epigenetic targets for liver fibrosis, validated by anti-fibrotic activity and liver cell regeneration in human hepatic organoids. Finally, the AI co-scientist recapitulated unpublished experimental results via a parallel in silico discovery of a novel gene transfer mechanism in bacterial evolution. These results, detailed in separate, co-timed reports, demonstrate the potential to augment biomedical and scientific discovery and usher an era of AI empowered scientists.

Recent advances in machine learning and large-scale biological data collections have revived the prospect of building a virtual cell, a computational model of cellular behavior that could accelerate biological discovery. One of the most compelling promises of this vision is the ability to perform in silico phenotypic screens, in which a model predicts the effects of cellular perturbations in unseen biological contexts. This task combines heterogeneous textual inputs with diverse phenotypic outputs, making it particularly well-suited to LLMs and agentic systems. Yet, no standard benchmark currently exists for this task, as existing efforts focus on narrower molecular readouts that are only indirectly aligned with the phenotypic endpoints driving many real-world drug discovery workflows. In this work, we present AssayBench, a benchmark for phenotypic screen prediction, built from 1,920 publicly available CRISPR screens spanning five broad classes of cellular phenotypes. We formulate the screen prediction task as a gene rank prediction for each screen and introduce the adjusted nDCG, a continuous metric for comparing performance across heterogeneous assays. Our extensive evaluation shows that existing methods remain far from empirically estimated performance ceilings and zero-shot generalist LLMs outperform biology-specific LLMs and trainable baselines. Optimization techniques such as fine-tuning, ensembling, and prompt optimization can further improve LLM performance on this task. Overall, AssayBench offers a practical testbed for measuring progress toward in silico phenotypic screening and, more broadly, virtual cell models.

Prototype models are an important method for explainable artificial intelligence (XAI) and interpretable machine learning. In this paper, we perform an in-depth analysis of a set of prominent prototype models including ProtoPNet, ProtoPool and PIPNet. For their assessment, we apply a comprehensive set of metrics. In addition to applying standard metrics from literature, we propose several new metrics to further complement the analysis of model interpretability. In our experimentation, we apply the set of prototype models on a diverse set of datasets including fine-grained classification, Non-IID settings and multi-label classification to further contrast the performance. Furthermore, we also provide our code as an open-source library (https://github.com/uos-sis/quanproto), which facilitates simple application of the metrics itself, as well as extensibility -- providing the option for easily adding new metrics and models.

The common toxicity and societal bias in contents generated by large language models (LLMs) necessitate strategies to reduce harm. Present solutions often demand white-box access to the model or substantial training, which is impractical for cutting-edge commercial LLMs. Moreover, prevailing prompting methods depend on external tool feedback and fail to simultaneously lessen toxicity and bias. Motivated by social psychology principles, we propose a novel strategy named perspective-taking prompting (\textsc{PeT)} that inspires LLMs to integrate diverse human perspectives and self-regulate their responses. This self-correction mechanism can significantly diminish toxicity (up to 89%) and bias (up to 73%) in LLMs' responses. Rigorous evaluations and ablation studies are conducted on two commercial LLMs (ChatGPT and GLM) and three open-source LLMs, revealing PeT's superiority in producing less harmful responses, outperforming five strong baselines.

Getting large language models (LLMs) to refuse to answer hostile toxicity questions is a core issue under the theme of LLMs security. Previous approaches have used prompts engineering to jailbreak LLMs and answer some toxicity questions. These approaches can easily fail after the model manufacturer makes additional fine-tuning to the model. To promote the further understanding of model jailbreaking by researchers, we are inspired by Representation Engineering to propose a jailbreaking method that does not require elaborate construction prompts, is not affected by model fine-tuning, and can be widely applied to any open-source LLMs in a pluggable manner. We have evaluated this method on multiple mainstream LLMs on carefully supplemented toxicity datasets, and the experimental results demonstrate the significant effectiveness of our approach. After being surprised by some interesting jailbreaking cases, we did extensive in-depth research to explore the techniques behind this method.

Prototype-based neural networks offer interpretable predictions by comparing inputs to learned, representative signal patterns anchored in training data. While such models have shown promise in the classification of physiological data, it remains unclear whether their prototypes capture an underlying structure that aligns with broader clinical phenotypes. We use a prototype-based deep learning model trained for multi-label ECG classification using the PTB-XL dataset. Then without modification we performed inference on the MIMIC-IV clinical database. We assess whether individual prototypes, trained solely for classification, are associated with hospital discharge diagnoses in the form of phecodes in this external population. Individual prototypes demonstrate significantly stronger and more specific associations with clinical outcomes compared to the classifier's class predictions, NLP-extracted concepts, or broader prototype classes across all phecode categories. Prototype classes with mixed significance patterns exhibit significantly greater intra-class distances (p < 0.0001), indicating the model learned to differentiate clinically meaningful variations within diagnostic categories. The prototypes achieve strong predictive performance across diverse conditions, with AUCs ranging from 0.89 for atrial fibrillation to 0.91 for heart failure, while also showing substantial signal for non-cardiac conditions such as sepsis and renal disease. These findings suggest that prototype-based models can support interpretable digital phenotyping from physiologic time-series data, providing transferable intermediate phenotypes that capture clinically meaningful physiologic signatures beyond their original training objectives.

We introduce ProtoPathway, an interpretable-by-design multimodal framework for cancer survival prediction that unifies whole slide imaging and transcriptomics through encoders producing biologically grounded representations on both sides of the fusion. On the histopathology side, K learnable morphological prototypes, trained end-to-end with the survival objective, serve as the slide representation itself: patches flow into prototype tokens via soft assignment, compressing variable-length patch sets into fixed task-adaptive tokens. On the genomic side, a bipartite graph neural network encodes gene expression within the Reactome pathway hierarchy, producing pathway embeddings that reflect both constituent genes and their broader biological context through bidirectional message passing over a shared gene--pathway graph. Cross-modal attention then operates over a compact prototype times pathway matrix in which prototypes query pathways, modeling the biological direction in which molecular programs give rise to tissue morphology. Because both axes carry stable task-learned identity, the attention matrix is itself an interpretability output, yielding native inference-time attribution across the full biological hierarchy, from genes through pathways and prototypes to spatial tissue maps. We evaluate on five TCGA cancer cohorts, demonstrating competitive or superior survival prediction with substantially improved biological interpretability and reduced computational cost, with interpretability claims validated through fold-stratified rank-based population-level analysis. Our source code, model weights, and Reactome pathways, together with a unified codebase reimplementing all multimodal survival baselines under identical preprocessing and evaluation, are available at: https://github.com/AmayaGS/ProtoPathway.

This paper introduces Galactic Bioware's Life Support System, a semi-closed-circuit breathing apparatus designed for integration into a positive-pressure firefighting suit and governed by an AI control system. The breathing loop incorporates a soda lime CO2 scrubber, a silica gel dehumidifier, and pure O2 replenishment with finite consumables. One-way exhaust valves maintain positive pressure while creating a semi-closed system in which outward venting gradually depletes the gas inventory. Part I develops the physicochemical foundations from first principles, including state-consistent thermochemistry, stoichiometric capacity limits, adsorption isotherms, and oxygen-management constraints arising from both fire safety and toxicity. Part II introduces an AI control architecture that fuses three sensor tiers, external environmental sensing, internal suit atmosphere sensing (with triple-redundant O2 cells and median voting), and firefighter biometrics. The controller combines receding-horizon model-predictive control (MPC) with a learned metabolic model and a reinforcement learning (RL) policy advisor, with all candidate actuator commands passing through a final control-barrier-function safety filter before reaching the hardware. This architecture is intended to optimize performance under unknown mission duration and exertion profiles. In this paper we introduce an 18-state, 3-control nonlinear state-space formulation using only sensors viable in structural firefighting, with triple-redundant O2 sensing and median voting. Finally, we introduce an MPC framework with a dynamic resource scarcity multiplier, an RL policy advisor for warm-starting, and a final control-barrier-function safety filter through which all actuator commands must pass, demonstrating 18-34% endurance improvement in simulation over PID baselines while maintaining tighter physiological and fire-safety margins.

Model developers implement safeguards in frontier models to prevent misuse, for example, by employing classifiers to filter dangerous outputs. In this work, we demonstrate that even robustly safeguarded models can be used to elicit harmful capabilities in open-source models through elicitation attacks. Our elicitation attacks consist of three stages: (i) constructing prompts in adjacent domains to a target harmful task that do not request dangerous information; (ii) obtaining responses to these prompts from safeguarded frontier models; (iii) fine-tuning open-source models on these prompt-output pairs. Since the requested prompts cannot be used to directly cause harm, they are not refused by frontier model safeguards. We evaluate these elicitation attacks within the domain of hazardous chemical synthesis and processing, and demonstrate that our attacks recover approximately 40% of the capability gap between the base open-source model and an unrestricted frontier model. We then show that the efficacy of elicitation attacks scales with the capability of the frontier model and the amount of generated fine-tuning data. Our work demonstrates the challenge of mitigating ecosystem level risks with output-level safeguards.

Toxic language in Bengali remains prevalent, especially in online environments, with few effective precautions against it. Although text detoxification has seen progress in high-resource languages, Bengali remains underexplored due to limited resources. In this paper, we propose a novel pipeline for Bengali text detoxification that combines Pareto class-optimized large language models (LLMs) and Chain-of-Thought (CoT) prompting to generate detoxified sentences. To support this effort, we construct BanglaNirTox, an artificially generated parallel corpus of 68,041 toxic Bengali sentences with class-wise toxicity labels, reasonings, and detoxified paraphrases, using Pareto-optimized LLMs evaluated on random samples. The resulting BanglaNirTox dataset is used to fine-tune language models to produce better detoxified versions of Bengali sentences. Our findings show that Pareto-optimized LLMs with CoT prompting significantly enhance the quality and consistency of Bengali text detoxification.

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

This paper presents a comparative benchmark evaluating the performance of Typica.ai's custom Moroccan Darija toxicity detection model against major LLM-based moderation APIs: OpenAI (omni-moderation-latest), Mistral (mistral-moderation-latest), and Anthropic Claude (claude-3-haiku-20240307). We focus on culturally grounded toxic content, including implicit insults, sarcasm, and culturally specific aggression often overlooked by general-purpose systems. Using a balanced test set derived from the OMCD_Typica.ai_Mix dataset, we report precision, recall, F1-score, and accuracy, offering insights into challenges and opportunities for moderation in underrepresented languages. Our results highlight Typica.ai's superior performance, underlining the importance of culturally adapted models for reliable content moderation.

We present two novel unsupervised methods for eliminating toxicity in text. Our first method combines two recent ideas: (1) guidance of the generation process with small style-conditional language models and (2) use of paraphrasing models to perform style transfer. We use a well-performing paraphraser guided by style-trained language models to keep the text content and remove toxicity. Our second method uses BERT to replace toxic words with their non-offensive synonyms. We make the method more flexible by enabling BERT to replace mask tokens with a variable number of words. Finally, we present the first large-scale comparative study of style transfer models on the task of toxicity removal. We compare our models with a number of methods for style transfer. The models are evaluated in a reference-free way using a combination of unsupervised style transfer metrics. Both methods we suggest yield new SOTA results.

Generating molecules that satisfy precise numeric constraints over multiple physicochemical properties is critical and challenging. Although large language models (LLMs) are expressive, they struggle with precise multi-objective control and numeric reasoning without external structure and feedback. We introduce M olGen, a fragment-level, retrieval-augmented, two-stage framework for molecule generation under multi-property constraints. Stage I : Prototype generation: a multi-agent reasoner performs retrieval-anchored, fragment-level edits to produce a candidate near the feasible region. Stage II : RL-based fine-grained optimization: a fragment-level optimizer trained with Group Relative Policy Optimization (GRPO) applies one- or multi-hop refinements to explicitly minimize the property errors toward our target while regulating edit complexity and deviation from the prototype. A large, automatically curated dataset with reasoning chains of fragment edits and measured property deltas underpins both stages, enabling deterministic, reproducible supervision and controllable multi-hop reasoning. Unlike prior work, our framework better reasons about molecules by leveraging fragments and supports controllable refinement toward numeric targets. Experiments on generation under two sets of property constraints (QED, LogP, Molecular Weight and HOMO, LUMO) show consistent gains in validity and precise satisfaction of multi-property targets, outperforming strong LLMs and graph-based algorithms.

DNA-synthesis providers screen incoming orders by searching the requested sequence against curated hazard lists. We show that this baseline collapses to a 100% false-flag rate when the hazardous sequence comes from a taxonomic family absent from the reference set: under Conformal Risk Control's certified miss-rate constraint, a low-discrimination signal forces the threshold below the entire test-benign mass. We compose three signals derived from a synthesis order's public annotation: k-mer Jaccard similarity to known toxins, the trimmed-mean score of a five-LLM judge panel, and cosine similarity to clustered embedding centroids. Fused under a monotone logistic aggregator and calibrated by Conformal Risk Control, the resulting screener certifies E[FNR] le α. Across ten leave-one-taxonomic-family-out folds at α=0.05 on UniProt KW-0800 reviewed toxins, the calibrated screener achieves 0% test miss rate on every fold and 0% test false-flag rate on nine of ten folds. The bound's finite-sample slack 1/(n_{cal}+1) caps the certifiable miss rate at 1.77% on our 200-hazard subsample; reaching procurement-grade α=10^{-3} requires an 18times larger calibration set, which the full reviewed UniProt KW-0800 corpus is large enough to deliver. The binding constraint on certifiable DNA-synthesis screening is calibration data, not algorithms. Code: https://github.com/najmulhasan-code/crc-screen

Phonetic Cloaking Replacement (PCR), defined as the deliberate use of homophonic or near-homophonic variants to hide toxic intent, has become a major obstacle to Chinese content moderation. While this problem is well-recognized, existing evaluations predominantly rely on rule-based, synthetic perturbations that ignore the creativity of real users. We organize PCR into a four-way surface-form taxonomy and compile \ours, a dataset of 500 naturally occurring, phonetically cloaked offensive posts gathered from the RedNote platform. Benchmarking state-of-the-art LLMs on this dataset exposes a serious weakness: the best model reaches only an F1-score of 0.672, and zero-shot chain-of-thought prompting pushes performance even lower. Guided by error analysis, we revisit a Pinyin-based prompting strategy that earlier studies judged ineffective and show that it recovers much of the lost accuracy. This study offers the first comprehensive taxonomy of Chinese PCR, a realistic benchmark that reveals current detectors' limits, and a lightweight mitigation technique that advances research on robust toxicity detection.

Now that AI-driven moderation has become pervasive in everyday life, we often hear claims that "the AI is biased". While this is often said jokingly, the light-hearted remark reflects a deeper concern. How can we be certain that an online post flagged as "inappropriate" was not simply the victim of a biased algorithm? This paper investigates this problem using a dual approach. First, I conduct a quantitative benchmark of a widely used toxicity model (unitary/toxic-bert) to measure performance disparity between text in African-American English (AAE) and Standard American English (SAE). The benchmark reveals a clear, systematic bias: on average, the model scores AAE text as 1.8 times more toxic and 8.8 times higher for "identity hate". Second, I introduce an interactive pedagogical tool that makes these abstract biases tangible. The tool's core mechanic, a user-controlled "sensitivity threshold," demonstrates that the biased score itself is not the only harm; instead, the more-concerning harm is the human-set, seemingly neutral policy that ultimately operationalises discrimination. This work provides both statistical evidence of disparate impact and a public-facing tool designed to foster critical AI literacy.

Tabular biomedical data poses challenges in machine learning because it is often high-dimensional and typically low-sample-size (HDLSS). Previous research has attempted to address these challenges via local feature selection, but existing approaches often fail to achieve optimal performance due to their limitation in identifying globally important features and their susceptibility to the co-adaptation problem. In this paper, we propose ProtoGate, a prototype-based neural model for feature selection on HDLSS data. ProtoGate first selects instance-wise features via adaptively balancing global and local feature selection. Furthermore, ProtoGate employs a non-parametric prototype-based prediction mechanism to tackle the co-adaptation problem, ensuring the feature selection results and predictions are consistent with underlying data clusters. We conduct comprehensive experiments to evaluate the performance and interpretability of ProtoGate on synthetic and real-world datasets. The results show that ProtoGate generally outperforms state-of-the-art methods in prediction accuracy by a clear margin while providing high-fidelity feature selection and explainable predictions. Code is available at https://github.com/SilenceX12138/ProtoGate.

Large Language Models (LLMs) are increasingly used for zero-shot annotation and LLM-as-a-judge tasks, yet their reliability hinges on how model-internalized priors interact with user-provided instructions. We investigate three dimensions of this interaction: (1) how an LLM's familiarity with data and task definitions affects performance, (2) the extent to which additional information in prompts can correct zero-shot errors ("decision stickiness"), and (3) model susceptibility to misaligned task definitions. Through experiments on toxicity detection across diverse datasets (spanning social media, gaming, news, and forums) using both dense and mixture-of-experts models, we find that nearly two-thirds of zero-shot errors are resistant to correction, with an overall rescue rate (fraction of initial errors corrected by prompting) of only 34.8%. High-confidence errors prove especially resistant to correction. When given misaligned definitions, LLMs follow them while maintaining confidence levels unchanged from the aligned condition. Crucially, we introduce Definition-Specific Familiarity (DSF), which measures alignment between a model's internal concept and the task definition. After controlling for dataset-level confounds, DSF shows a positive association with model performance (partial r = +0.41), while three distinct memorization metrics (ROUGE-L, BERTScore, and embedding cosine similarity) all fail to show a positive association. These findings show the limitations of prompt-based correction in annotation tasks, highlighting the importance of definition alignment over text-level memorization.

The development of Open-Domain Dialogue Systems (ODS)is a trending topic due to the large number of research challenges, large societal and business impact, and advances in the underlying technology. However, the development of these kinds of systems requires two important characteristics:1) automatic evaluation mechanisms that show high correlations with human judgements across multiple dialogue evaluation aspects (with explainable features for providing constructive and explicit feedback on the quality of generative models' responses for quick development and deployment)and 2) mechanisms that can help to control chatbot responses,while avoiding toxicity and employing intelligent ways to handle toxic user comments and keeping interaction flow and engagement. This track at the 10th Dialogue System Technology Challenge (DSTC10) is part of the ongoing effort to promote scalable and toxic-free ODS. This paper describes the datasets and baselines provided to participants, as well as submission evaluation results for each of the two proposed subtasks.

Current multimodal toxicity benchmarks typically use a single binary hatefulness label. This coarse approach conflates two fundamentally different characteristics of expression: tone and content. Drawing on communication science theory, we introduce a fine-grained annotation scheme that distinguishes two separable dimensions: incivility (rude or dismissive tone) and intolerance (content that attacks pluralism and targets groups or identities) and apply it to 2,030 memes from the Hateful Memes dataset. We evaluate different vision-language models under coarse-label training, transfer learning across label schemes and a joint learning approach that combines the coarse hatefulness label with our fine-grained annotations. Our results show that fine-grained annotations complement existing coarse labels and, when used jointly, improve overall model performance. Moreover, models trained with the fine-grained scheme exhibit more balanced moderation-relevant error profiles and are less prone to under-detection of harmful content than models trained on hatefulness labels alone (FNR-FPR, the difference between false negative and false positive rates: 0.74 to 0.42 for LLaVA-1.6-Mistral-7B; 0.54 to 0.28 for Qwen2.5-VL-7B). This work contributes to data-centric approaches in content moderation by improving the reliability and accuracy of moderation systems through enhanced data quality. Overall, combining both coarse and fine-grained labels provides a practical route to more reliable multimodal moderation.

Caution: this paper may include material that could be offensive or distressing. The advent of Large Language Models (LLMs) necessitates the development of training approaches that mitigate the generation of unethical language and aptly manage toxic user queries. Given the challenges related to human labor and the scarcity of data, we present KoTox, comprising 39K unethical instruction-output pairs. This collection of automatically generated toxic instructions refines the training of LLMs and establishes a foundational framework for improving LLMs' ethical awareness and response to various toxic inputs, promoting more secure and responsible interactions in Natural Language Processing (NLP) applications.

Hate speech and toxic comments are a common concern of social media platform users. Although these comments are, fortunately, the minority in these platforms, they are still capable of causing harm. Therefore, identifying these comments is an important task for studying and preventing the proliferation of toxicity in social media. Previous work in automatically detecting toxic comments focus mainly in English, with very few work in languages like Brazilian Portuguese. In this paper, we propose a new large-scale dataset for Brazilian Portuguese with tweets annotated as either toxic or non-toxic or in different types of toxicity. We present our dataset collection and annotation process, where we aimed to select candidates covering multiple demographic groups. State-of-the-art BERT models were able to achieve 76% macro-F1 score using monolingual data in the binary case. We also show that large-scale monolingual data is still needed to create more accurate models, despite recent advances in multilingual approaches. An error analysis and experiments with multi-label classification show the difficulty of classifying certain types of toxic comments that appear less frequently in our data and highlights the need to develop models that are aware of different categories of toxicity.

Language detoxification involves removing toxicity from offensive language. While a neutral-toxic paired dataset provides a straightforward approach for training detoxification models, creating such datasets presents several challenges: i) the need for human annotation to build paired data, and ii) the rapid evolution of offensive terms, rendering static datasets quickly outdated. To tackle these challenges, we introduce an automated paired data generation pipeline, called K/DA. This pipeline is designed to generate offensive language with implicit offensiveness and trend-aligned slang, making the resulting dataset suitable for detoxification model training. We demonstrate that the dataset generated by K/DA exhibits high pair consistency and greater implicit offensiveness compared to existing Korean datasets, and also demonstrates applicability to other languages. Furthermore, it enables effective training of a high-performing detoxification model with simple instruction fine-tuning.

During the development of large language models (LLMs), pre-training data play a critical role in shaping LLMs' capabilities. In recent years several large-scale and high-quality pre-training datasets have been released to accelerate the research of LLMs, including ChineseWebText1.0, C4, Pile, WanJuan, MAPCC and others. However, as LLMs continue to evolve, focus has increasingly shifted to domain-specific capabilities and safety concerns, making those previous coarse-grained texts insufficient for meeting training requirements. Furthermore, fine-grained information, such as quality, domain and toxicity, is becoming increasingly important in building powerful and reliable LLMs for various scenarios. To address these challenges, in this paper we propose a new tool-chain called MDFG-tool for constructing large-scale and high-quality Chinese datasets with multi-dimensional and fine-grained information. First, we employ manually crafted rules to discard explicit noisy texts from raw contents. Second, the quality evaluation model, domain classifier, and toxicity evaluation model are well-designed to assess the remaining cleaned data respectively. Finally, we integrate these three types of fine-grained information for each text. With this approach, we release the largest, high-quality and fine-grained Chinese text ChineseWebText2.0, which consists of 3.8TB and each text is associated with a quality score, domain labels, a toxicity label and a toxicity score, facilitating the LLM researchers to select data based on various types of fine-grained information. The data, codes and the tool-chain are available on this website https://github.com/CASIA-LM/ChineseWebText-2.0

As large language models (LLMs) are widely deployed across various domains, the ability to control their generated outputs has become more critical. This control involves aligning LLMs outputs with human values and ethical principles or customizing LLMs on specific topics or styles for individual users. Existing controlled generation methods either require significant computational resources and extensive trial-and-error or provide coarse-grained control. In this paper, we propose Generation with Concept Activation Vector (GCAV), a lightweight model control framework that ensures accurate control without requiring resource-extensive fine-tuning. Specifically, GCAV first trains a concept activation vector for specified concepts to be controlled, such as toxicity. During inference, GCAV steers the concept vector in LLMs, for example, by removing the toxicity concept vector from the activation layers. Control experiments from different perspectives, including toxicity reduction, sentiment control, linguistic style, and topic control, demonstrate that our framework achieves state-of-the-art performance with granular control, allowing for fine-grained adjustments of both the steering layers and the steering magnitudes for individual samples.

There has been unprecedented interest in developing agents that expand the boundary of scientific discovery, primarily by optimizing quantitative objective functions specified by scientists. However, for grand challenges in science, these objectives may only be imperfect proxies. We argue that automating objective function design is a central, yet unmet need for scientific discovery agents. In this work, we introduce the Scientific Autonomous Goal-evolving Agent (SAGA) to address this challenge. SAGA employs a bi-level architecture in which an outer loop of LLM agents analyzes optimization outcomes, proposes new objectives, and converts them into computable scoring functions, while an inner loop performs solution optimization under the current objectives. This bi-level design enables systematic exploration of the space of objectives and their trade-offs, rather than treating them as fixed inputs. We demonstrate the framework through a wide range of design applications, including antibiotics, nanobodies, functional DNA sequences, inorganic materials, and chemical processes. Notably, our experimental validation identifies a structurally novel hit with promising potency and safety profiles for E. coli in the antibiotic design task, and three de novo PD-L1 binders in the nanobody design task. These results suggest that automating objective formulation can substantially improve the effectiveness of scientific discovery agents.

Despite the growing use of large language models (LLMs) in clinical dialogue systems, existing evaluations focus on task completion or fluency, offering little insight into the behavioral and risk management requirements essential for safety-critical systems. This paper presents MATRIX (Multi-Agent simulaTion fRamework for safe Interactions and conteXtual clinical conversational evaluation), a structured, extensible framework for safety-oriented evaluation of clinical dialogue agents. MATRIX integrates three components: (1) a safety-aligned taxonomy of clinical scenarios, expected system behaviors and failure modes derived through structured safety engineering methods; (2) BehvJudge, an LLM-based evaluator for detecting safety-relevant dialogue failures, validated against expert clinician annotations; and (3) PatBot, a simulated patient agent capable of producing diverse, scenario-conditioned responses, evaluated for realism and behavioral fidelity with human factors expertise, and a patient-preference study. Across three experiments, we show that MATRIX enables systematic, scalable safety evaluation. BehvJudge with Gemini 2.5-Pro achieves expert-level hazard detection (F1 0.96, sensitivity 0.999), outperforming clinicians in a blinded assessment of 240 dialogues. We also conducted one of the first realism analyses of LLM-based patient simulation, showing that PatBot reliably simulates realistic patient behavior in quantitative and qualitative evaluations. Using MATRIX, we demonstrate its effectiveness in benchmarking five LLM agents across 2,100 simulated dialogues spanning 14 hazard scenarios and 10 clinical domains. MATRIX is the first framework to unify structured safety engineering with scalable, validated conversational AI evaluation, enabling regulator-aligned safety auditing. We release all evaluation tools, prompts, structured scenarios, and datasets.

Many environmental remediation and energy applications (conversion and storage) for sustainability need design and development of green novel materials. Discovery processes of such novel materials are time taking and cumbersome due to large number of possible combinations and permutations of materials structures. Often theoretical studies based on Density Functional Theory (DFT) and other theories, coupled with Simulations are conducted to narrow down sample space of candidate materials, before conducting laboratory-based synthesis and analytical process. With the emergence of artificial intelligence (AI), AI techniques are being tried in this process too to ease out simulation time and cost. However tremendous values of previously published research from various parts of the world are still left as labor-intensive manual effort and discretion of individual researcher and prone to human omissions. AIMS-EREA is our novel framework to blend best of breed of Material Science theory with power of Generative AI to give best impact and smooth and quickest discovery of material for sustainability. This also helps to eliminate the possibility of production of hazardous residues and bye-products of the reactions. AIMS-EREA uses all available resources -- Predictive and Analytical AI on large collection of chemical databases along with automated intelligent assimilation of deep materials knowledge from previously published research works through Generative AI. We demonstrate use of our own novel framework with an example, how this framework can be successfully applied to achieve desired success in development of thermoelectric material for waste heat conversion.

Current Vision Language Models (VLMs) remain vulnerable to malicious prompts that induce harmful outputs. Existing safety benchmarks for VLMs primarily rely on automated evaluation methods, but these methods struggle to detect implicit harmful content or produce inaccurate evaluations. Therefore, we found that existing benchmarks have low levels of harmfulness, ambiguous data, and limited diversity in image-text pair combinations. To address these issues, we propose the ELITE benchmark, a high-quality safety evaluation benchmark for VLMs, underpinned by our enhanced evaluation method, the ELITE evaluator. The ELITE evaluator explicitly incorporates a toxicity score to accurately assess harmfulness in multimodal contexts, where VLMs often provide specific, convincing, but unharmful descriptions of images. We filter out ambiguous and low-quality image-text pairs from existing benchmarks using the ELITE evaluator and generate diverse combinations of safe and unsafe image-text pairs. Our experiments demonstrate that the ELITE evaluator achieves superior alignment with human evaluations compared to prior automated methods, and the ELITE benchmark offers enhanced benchmark quality and diversity. By introducing ELITE, we pave the way for safer, more robust VLMs, contributing essential tools for evaluating and mitigating safety risks in real-world applications.

Text-to-image models like Stable Diffusion have had a profound impact on daily life by enabling the generation of photorealistic images from textual prompts, fostering creativity, and enhancing visual experiences across various applications. However, these models also pose risks. Previous studies have successfully demonstrated that manipulated prompts can elicit text-to-image models to generate unsafe images, e.g., hateful meme variants. Yet, these studies only unleash the harmful power of text-to-image models in a passive manner. In this work, we focus on the proactive generation of unsafe images using targeted benign prompts via poisoning attacks. We propose two poisoning attacks: a basic attack and a utility-preserving attack. We qualitatively and quantitatively evaluate the proposed attacks using four representative hateful memes and multiple query prompts. Experimental results indicate that text-to-image models are vulnerable to the basic attack even with five poisoning samples. However, the poisoning effect can inadvertently spread to non-targeted prompts, leading to undesirable side effects. Root cause analysis identifies conceptual similarity as an important contributing factor to the side effects. To address this, we introduce the utility-preserving attack as a viable mitigation strategy to maintain the attack stealthiness, while ensuring decent attack performance. Our findings underscore the potential risks of adopting text-to-image models in real-world scenarios, calling for future research and safety measures in this space.

The past year has seen rapid acceleration in the development of large language models (LLMs). However, without proper steering and safeguards, LLMs will readily follow malicious instructions, provide unsafe advice, and generate toxic content. We introduce SimpleSafetyTests (SST) as a new test suite for rapidly and systematically identifying such critical safety risks. The test suite comprises 100 test prompts across five harm areas that LLMs, for the vast majority of applications, should refuse to comply with. We test 11 open-access and open-source LLMs and four closed-source LLMs, and find critical safety weaknesses. While some of the models do not give a single unsafe response, most give unsafe responses to more than 20% of the prompts, with over 50% unsafe responses in the extreme. Prepending a safety-emphasising system prompt substantially reduces the occurrence of unsafe responses, but does not completely stop them from happening. Trained annotators labelled every model response to SST (n = 3,000). We use these annotations to evaluate five AI safety filters (which assess whether a models' response is unsafe given a prompt) as a way of automatically evaluating models' performance on SST. The filters' performance varies considerably. There are also differences across the five harm areas, and on the unsafe versus safe responses. The widely-used Perspective API has 72% accuracy and a newly-created zero-shot prompt to OpenAI's GPT-4 performs best with 89% accuracy. Content Warning: This paper contains prompts and responses that relate to child abuse, suicide, self-harm and eating disorders, scams and fraud, illegal items, and physical harm.

Flawed planning from VLM-driven embodied agents poses significant safety hazards, hindering their deployment in real-world household tasks. However, existing static, non-interactive evaluation paradigms fail to adequately assess risks within these interactive environments, since they cannot simulate dynamic risks that emerge from an agent's actions and rely on unreliable post-hoc evaluations that ignore unsafe intermediate steps. To bridge this critical gap, we propose evaluating an agent's interactive safety: its ability to perceive emergent risks and execute mitigation steps in the correct procedural order. We thus present IS-Bench, the first multi-modal benchmark designed for interactive safety, featuring 161 challenging scenarios with 388 unique safety risks instantiated in a high-fidelity simulator. Crucially, it facilitates a novel process-oriented evaluation that verifies whether risk mitigation actions are performed before/after specific risk-prone steps. Extensive experiments on leading VLMs, including the GPT-4o and Gemini-2.5 series, reveal that current agents lack interactive safety awareness, and that while safety-aware Chain-of-Thought can improve performance, it often compromises task completion. By highlighting these critical limitations, IS-Bench provides a foundation for developing safer and more reliable embodied AI systems.

Text detoxification aims to minimize the risk of language models producing toxic content. Existing detoxification methods of directly constraining the model output or further training the model on the non-toxic corpus fail to achieve a decent balance between detoxification effectiveness and generation quality. This issue stems from the neglect of constrain imposed by the context since language models are designed to generate output that closely matches the context while detoxification methods endeavor to ensure the safety of the output even if it semantically deviates from the context. In view of this, we introduce a Context-aware Model self-Detoxification~(CMD) framework that pays attention to both the context and the detoxification process, i.e., first detoxifying the context and then making the language model generate along the safe context. Specifically, CMD framework involves two phases: utilizing language models to synthesize data and applying these data for training. We also introduce a toxic contrastive loss that encourages the model generation away from the negative toxic samples. Experiments on various LLMs have verified the effectiveness of our MSD framework, which can yield the best performance compared to baselines.

Limited large-scale evaluations exist for facilitation strategies of online discussions due to significant costs associated with human involvement. An effective solution is synthetic discussion simulations using Large Language Models (LLMs) to create initial pilot experiments. We propose a simple, generalizable, LLM-driven methodology to prototype the development of LLM facilitators, and produce high-quality synthetic data without human involvement. We use our methodology to test whether current facilitation strategies can improve the performance of LLM facilitators. We find that, while LLM facilitators significantly improve synthetic discussions, there is no evidence that the application of more elaborate facilitation strategies proposed in modern Social Science research lead to further improvements in discussion quality, compared to more basic approaches. Additionally, we find that small LLMs (such as Mistral Nemo 12B) can perform comparably to larger models (such as LLaMa 70B), and that special instructions must be used for instruction-tuned models to induce toxicity in synthetic discussions. We confirm that each component of our methodology contributes substantially to high quality data via an ablation study. We release an open-source framework, "SynDisco" (pip install syndisco), which implements our methodology. We also release the "Virtual Moderation Dataset" (https://paperswithcode.com/dataset/vmd), a large, publicly available dataset containing LLM-generated and LLM-annotated discussions using multiple open-source LLMs.

The ideal LLM content moderation system would be both structurally interpretable (so its decisions can be explained to users) and steerable (to reflect a community's values or align to safety standards). However, current systems fall short on both of these dimensions. To address this gap, we present SafetyAnalyst, a novel LLM safety moderation framework. Given a prompt, SafetyAnalyst creates a structured "harm-benefit tree," which identifies 1) the actions that could be taken if a compliant response were provided, 2) the harmful and beneficial effects of those actions (along with their likelihood, severity, and immediacy), and 3) the stakeholders that would be impacted by those effects. It then aggregates this structured representation into a harmfulness score based on a parameterized set of safety preferences, which can be transparently aligned to particular values. Using extensive harm-benefit features generated by SOTA LLMs on 19k prompts, we fine-tuned an open-weight LM to specialize in generating harm-benefit trees through symbolic knowledge distillation. On a comprehensive set of prompt safety benchmarks, we show that our system (average F1=0.75) outperforms existing LLM safety moderation systems (average F1<0.72) on prompt harmfulness classification, while offering the additional advantages of interpretability and steerability.

Detoxification, the task of rewriting harmful language into non-toxic text, has become increasingly important amid the growing prevalence of toxic content online. However, high-quality parallel datasets for detoxification, especially for hate speech, remain scarce due to the cost and sensitivity of human annotation. In this paper, we propose a novel LLM-in-the-loop pipeline leveraging GPT-4o-mini for automated detoxification. We first replicate the ParaDetox pipeline by replacing human annotators with an LLM and show that the LLM performs comparably to human annotation. Building on this, we construct PARADEHATE, a large-scale parallel dataset specifically for hatespeech detoxification. We release PARADEHATE as a benchmark of over 8K hate/non-hate text pairs and evaluate a wide range of baseline methods. Experimental results show that models such as BART, fine-tuned on PARADEHATE, achieve better performance in style accuracy, content preservation, and fluency, demonstrating the effectiveness of LLM-generated detoxification text as a scalable alternative to human annotation.

In here presented in silico study we suggest a way how to implement the evolutionary principles into anti-cancer therapy design. We hypothesize that instead of its ongoing supervised adaptation, the therapy may be constructed as a self-sustaining evolutionary process in a dynamic fitness landscape established implicitly by evolving cancer cells, microenvironment and the therapy itself. For these purposes, we replace a unified therapy with the `therapy species', which is a population of heterogeneous elementary therapies, and propose a way how to turn the toxicity of the elementary therapy into its fitness in a way conforming to evolutionary causation. As a result, not only the therapies govern the evolution of different cell phenotypes, but the cells' resistances govern the evolution of the therapies as well. We illustrate the approach by the minimalistic ad hoc evolutionary model. Its results indicate that the resistant cells could bias the evolution towards more toxic elementary therapies by inhibiting the less toxic ones. As the evolutionary causation of cancer drug resistance has been intensively studied for a few decades, we refer to cancer as a special case to illustrate purely theoretical analysis.

In recent years, the widespread use of social media has led to an increase in the generation of toxic and offensive content on online platforms. In response, social media platforms have worked on developing automatic detection methods and employing human moderators to cope with this deluge of offensive content. While various state-of-the-art statistical models have been applied to detect toxic posts, there are only a few studies that focus on detecting the words or expressions that make a post offensive. This motivates the organization of the SemEval-2021 Task 5: Toxic Spans Detection competition, which has provided participants with a dataset containing toxic spans annotation in English posts. In this paper, we present the WLV-RIT entry for the SemEval-2021 Task 5. Our best performing neural transformer model achieves an 0.68 F1-Score. Furthermore, we develop an open-source framework for multilingual detection of offensive spans, i.e., MUDES, based on neural transformers that detect toxic spans in texts.

Large language models are increasingly trained on all the data ever produced by humans. Many have raised concerns about the trustworthiness of public benchmarks due to potential contamination in pre-training or fine-tuning datasets. While most data decontamination efforts apply string matching (e.g., n-gram overlap) to remove benchmark data, we show that these methods are insufficient, and simple variations of test data (e.g., paraphrasing, translation) can easily bypass these decontamination measures. Furthermore, we demonstrate that if such variation of test data is not eliminated, a 13B model can easily overfit a test benchmark and achieve drastically high performance, on par with GPT-4. We validate such observations in widely used benchmarks such as MMLU, GSK8k, and HumanEval. To address this growing risk, we propose a stronger LLM-based decontamination method and apply it to widely used pre-training and fine-tuning datasets, revealing significant previously unknown test overlap. For example, in pre-training sets such as RedPajama-Data-1T and StarCoder-Data, we identified that 8-18\% of the HumanEval benchmark overlaps. Interestingly, we also find such contamination in synthetic dataset generated by GPT-3.5/4, suggesting a potential risk of unintentional contamination. We urge the community to adopt stronger decontamination approaches when using public benchmarks. Moreover, we call for the community to actively develop fresh one-time exams to evaluate models accurately. Our decontamination tool is publicly available at https://github.com/lm-sys/llm-decontaminator.

Multi-agent AI systems exhibit emergent risks that no single agent produces in isolation. Existing safety frameworks rely on binary classifications of agent behavior, discarding the uncertainty inherent in proxy-based evaluation. We introduce SWARM (System-Wide Assessment of Risk in Multi-agent systems), a simulation framework that replaces binary good/bad labels with soft probabilistic labels p = P(v{=}+1) in [0,1], enabling continuous-valued payoff computation, toxicity measurement, and governance intervention. SWARM implements a modular governance engine with configurable levers (transaction taxes, circuit breakers, reputation decay, and random audits) and quantifies their effects through probabilistic metrics including expected toxicity E[1{-}p mid accepted] and quality gap E[p mid accepted] - E[p mid rejected]. Across seven scenarios with five-seed replication, strict governance reduces welfare by over 40\% without improving safety. In parallel, aggressively internalizing system externalities collapses total welfare from a baseline of +262 down to -67, while toxicity remains invariant. Circuit breakers require careful calibration; overly restrictive thresholds severely diminish system value, whereas an optimal threshold balances moderate welfare with minimized toxicity. Companion experiments show soft metrics detect proxy gaming by self-optimizing agents passing conventional binary evaluations. This basic governance layer applies to live LLM-backed agents (Concordia entities, Claude, GPT-4o Mini) without modification. Results show distributional safety requires continuous risk metrics and governance lever calibration involves quantifiable safety-welfare tradeoffs. Source code and project resources are publicly available at https://www.swarm-ai.org/.

Biased associations have been a challenge in the development of classifiers for detecting toxic language, hindering both fairness and accuracy. As potential solutions, we investigate recently introduced debiasing methods for text classification datasets and models, as applied to toxic language detection. Our focus is on lexical (e.g., swear words, slurs, identity mentions) and dialectal markers (specifically African American English). Our comprehensive experiments establish that existing methods are limited in their ability to prevent biased behavior in current toxicity detectors. We then propose an automatic, dialect-aware data correction method, as a proof-of-concept. Despite the use of synthetic labels, this method reduces dialectal associations with toxicity. Overall, our findings show that debiasing a model trained on biased toxic language data is not as effective as simply relabeling the data to remove existing biases.

Many chemical concepts can be well defined in the context of quantum chemical theories. Examples are the electronegativity scale of Mulliken and Jaffe and the hard and soft acids and bases concept of Pearson. The sound theoretical basis allows for a systematic definition of such concepts. However, while they are often used to describe and compare chemical processes in terms of reactivity, their predictive power remains unclear. In this work, we elaborate on the predictive potential of chemical reactivity concepts, which can be crucial for autonomous reaction exploration protocols to guide them by first-principles heuristics that expoit these concepts.