SEEDA optimizes dose allocation in clinical trials to balance efficacy and safety.
problem Complex relationships between efficacy and toxicity in new drug trials.
method Adaptive clinical trial methodology that maximizes cumulative efficacy while ensuring safety constraints.
result SEEDA outperforms existing methods in finding optimal doses with higher success rates and fewer patients.
Bayesian framework improves minority class performance in class-imbalanced data.
problem Class imbalance in predictive toxicology models.
method Weighted likelihood approach modifying likelihood function weights inversely proportional to class proportions.
result Improves balanced accuracy and sensitivity for minority class (toxic compounds).
Shared Keyboard design improves phase I clinical trials by borrowing information across doses.
problem Interim decisions based on current dose data may overlook signals from neighboring doses.
method Bayesian model-assisted design using Beta kernel process with kernel-weighted pseudo-counts.
result Significant improvements in identifying maximum tolerated dose and safety.
SDF-Bayes finds safe drug combinations safely, balancing optimism and caution.
problem Finding safe drug combinations in clinical trials with multiple drugs and patient heterogeneity.
method SDF-Bayes uses Bayesian statistics to choose the most likely MTD while ensuring safety constraints.
result SDF-Bayes outperforms existing methods in both accuracy and safety for drug combination trials.
We develop a method to estimate the time to unsafe responses in LLMs.
problem Estimating the time to unsafe responses in large language models is challenging due to the rarity of unsafe outputs.
method We frame the problem as survival analysis and propose a calibration technique for constructing a lower predictive bound (LPB).
result Our method provides rigorous coverage guarantees and improves sample efficiency.
The spectacular expansion of the Internet has led to the development of a new research problem in the field of natural language processing: automatic toxic comment detection, since many countries prohibit hate speech in public media. There is no clear and formal definition of hate, offensive, toxic and abusive speeches…
Paper develops a fast Bayesian method to predict toxic trades in financial transactions.
problem Predicting and managing toxic trades in financial transactions.
method PULSE: an online learning Bayesian procedure for neural networks.
result Neural networks trained with PULSE outperform traditional methods in predicting toxic trades.
Timely assessment of compound toxicity is one of the biggest challenges facing the pharmaceutical industry today. A significant proportion of compounds identified as potential leads are ultimately discarded due to the toxicity they induce. In this paper, we propose a novel machine learning approach for the prediction o…
Everyday we are exposed to various chemicals via food additives, cleaning and cosmetic products and medicines -- and some of them might be toxic. However testing the toxicity of all existing compounds by biological experiments is neither financially nor logistically feasible. Therefore the government agencies NIH, EPA …
We refine toxicity bounds for dynamic liquidation incentives in CP-AMM systems.
problem Ensuring stability in dynamic liquidation incentives in automated market makers.
method Derived state-dependent toxicity bounds for dynamic liquidation incentives, reconciling them with CP-AMM price dynamics.
result State-dependent bounds and liquidity-depth-only condition for dynamic liquidation incentives.
CondMTL improves toxicity detection by learning group-specific representations.
problem Algorithmic bias in toxic language detection across demographic groups.
method Conditional Multi-Task Learning (CondMTL) for demographic-specific tasks.
result CondMTL improves predictive recall for minority demographic groups.
Prediction of toxicity levels of chemical compounds is an important issue in Quantitative Structure-Activity Relationship (QSAR) modeling. Although toxicity prediction has achieved significant progress in recent times through deep learning, prediction accuracy levels obtained by even very recent methods are not yet ver…
Model optimizes trading strategy with unobservable toxicity.
problem Maximizing daily trading profit with unobservable toxicity.
method Formulated as a partially observable stochastic control problem, solved in two steps.
result P&L performance gap is negligible (0.01%) in all scenarios.
Causal ML predicts treatment outcomes, aiding personalized medicine.
problem Predicting individualized treatment effects for personalized medicine.
method Flexible, data-driven methods using causal inference with clinical trial and real-world data.
result Causal ML allows for estimating individualized treatment effects.
Toxicity prediction of chemical compounds is a grand challenge. Lately, it achieved significant progress in accuracy but using a huge set of features, implementing a complex blackbox technique such as a deep neural network, and exploiting enormous computational resources. In this paper, we strongly argue for the models…
New method designs antimicrobial peptides with high potency and low toxicity.
problem Designing potent antimicrobial drugs with low toxicity.
method CLaSS method using deep generative autoencoder and atomistic simulations.
result Design and synthesis of two novel AMPs with high potency and low toxicity.
To identify and classify toxic online commentary, the modern tools of data science transform raw text into key features from which either thresholding or learning algorithms can make predictions for monitoring offensive conversations. We systematically evaluate 62 classifiers representing 19 major algorithmic families …
Many modern data sets are sampled with error from complex high-dimensional surfaces. Methods such as tensor product splines or Gaussian processes are effective/well suited for characterizing a surface in two or three dimensions but may suffer from difficulties when representing higher dimensional surfaces. Motivated by…
Toxicity analysis and prediction are of paramount importance to human health and environmental protection. Existing computational methods are built from a wide variety of descriptors and regressors, which makes their performance analysis difficult. For example, deep neural network (DNN), a successful approach in many o…
A novel dose-finding design for cancer clinical trials using level set estimation.
problem Finding the maximum tolerated dose (MTD) in phase I cancer clinical trials.
method Proposes a novel dose-finding design based on level set estimation (LSE) to determine the next dose.
result The proposed LSE design achieves higher accuracy in estimating the MTD and lower risk of overdosing compared to existing designs.
We propose the development of a prediction market for forecasting prices for "toxic assets" to be transferred from Irish banks to the National Asset Management Agency (NAMA). Such a market allows market participants to assume a stake in a security whose value is tied to a future event. We propose that securities are cr…
This paper improves bond market making by adjusting hit-ratios for client flow quality.
problem Economic misleading of raw hit-ratios in corporate bond market making.
method Stochastic-control framework with residual-quality-adjusted hit-ratio.
result Optimal quotes decompose into various components, improving service/economics frontier.
CogMol designs novel drug-like molecules for SARS-CoV-2 targets.
problem Designing efficient drugs for novel viral proteins.
method End-to-end framework combining VAE, controlled sampling, and predictors.
result Highly selective and affinity molecules for SARS-CoV-2 targets.
Univariate and multivariate feature selection methods can be used for biomarker discovery in analysis of toxicant exposure. Among the univariate methods, differential expression analysis (DEA) is often applied for its simplicity and interpretability. A characteristic of methods for DEA is that they treat genes individu…
Financial institutions face new model risks with AI, requiring enhanced model risk management.
problem New model risks from Generative AI applications in financial institutions.
method Enhanced model risk framework with additional testing and controls.
result Financial institutions need to enhance their model risk management for Generative AI applications.
New approach extracts AI model representations for steering and monitoring.
problem Understanding and steering AI models' internal knowledge representation.
method Feature learning advances for scalable linear concept representations.
result Concept representations enable steering and monitoring of AI models.
Machine Learning (ML) is increasingly applied in real-life scenarios, raising concerns about bias in automatic decision making. We focus on bias as a notion of opinion exclusion, that stems from the direct application of traditional ML pipelines to infer subjective properties. We argue that such ML systems should be ev…
In this paper, we study counterfactual fairness in text classification, which asks the question: How would the prediction change if the sensitive attribute referenced in the example were different? Toxicity classifiers demonstrate a counterfactual fairness issue by predicting that "Some people are gay" is toxic while "…
New framework controls statistical dispersion for high-stakes applications.
problem Understanding and controlling the dispersion of loss distributions in high-stakes applications.
method Simple yet flexible framework for distribution-free control of statistical dispersion measures.
result Proposed methods control statistical dispersion measures with societal implications.
This research secures deployed sentiment analysis models by identifying and defending against attack vectors.
problem Securing deployed machine learning models, particularly sentiment analysis systems, from adversarial attacks.
method BAD (Build, Attack, Defend) Architecture, evaluating two implementations.
result Demonstrated a viable methodology for securing machine learning models in production.
RLVR maintains safety while improving reasoning capabilities in LLMs.
problem Safety-capability tradeoff in fine-tuning LLMs.
method Reinforcement Learning with Verifiable Rewards (RLVR) and theoretical analysis.
result RLVR can enhance reasoning while maintaining safety guardrails.
Research tackles safety of deep learning in safety-critical tasks.
problem Safety concerns of deep learning in perception tasks for autonomous agents.
method Technical enumeration and discussions on safety concerns and mitigation methods.
result Need for more mitigation methods to ensure safety of deep learning.
The paper discusses safety assessment for AI systems, focusing on machine learning models.
problem Safety assessment of AI systems, especially machine learning models, in safety-related applications.
method Analyzed AI models as statistical models and proposed a new budget allocation for AI safety.
result Safety assessment of AI systems requires a new approach focusing on the model used, not just the system.
Autonomous vehicles rely on machine learning to solve challenging tasks in perception and motion planning. However, automotive software safety standards have not fully evolved to address the challenges of machine learning safety such as interpretability, verification, and performance limitations. In this paper, we revi…
Fine-tuning LLMs improves capability but harms safety, study finds.
problem Balancing capability and safety in LLM fine-tuning.
method Theoretical framework and numerical experiments for two safety-aware fine-tuning strategies.
result Characterization of fundamental limits of safety-capability trade-off in LLM fine-tuning.
RAGuard improves safety in LLMs for offshore wind maintenance.
problem Conventional LLMs fail with specialised or unexpected scenarios in offshore wind maintenance.
method Integrates safety-critical documents alongside technical manuals in RAG framework.
result RAGuard increases safety recall from almost 0% to over 50% while maintaining technical recall above 60%.
Survey of algorithms for testing AI-driven CPS safety.
problem Testing AI-driven CPS for safety in complex environments.
method Survey of applied algorithms for safety validation.
result Survey of existing tools and techniques for safety validation.
Safe imitation learning with a safety layer for flexible training.
problem Flexible yet safe imitation learning for complex tasks.
method Theory and modular method with a safety layer for continuous policy, adversarial training, and worst-case safety guarantees.
result Robustness advantage of safety layer during training compared to test time.
This paper formalizes AI safety using hypothesis testing in GenAI.
problem Ensuring safety of generative AI tools that create realistic content.
method Formalization of computational safety through hypothesis testing and signal processing.
result Demonstrates how AI safety can be assessed quantitatively using mathematical frameworks.
Researchers develop method to protect against 'weight poisoning' attacks on pre-trained models.
problem The security threat of downloading untrusted pre-trained weights that can be manipulated after fine-tuning.
method RIPPLe regularization method and Embedding Surgery initialization procedure.
result Demonstrated that weight poisoning attacks are possible even with limited knowledge of the dataset and fine-tuning procedure.
A new algorithm for identifying the best arm in linear feedback with safety constraints.
problem Identifying the best arm in linear feedback with safety constraints.
method A gap-based algorithm that ensures safety while minimizing sample complexity.
result The algorithm achieves meaningful sample complexity while ensuring safety.
Safety filter for unknown discrete-time systems with learned models and noise covariance.
problem Ensuring safety for unknown discrete-time linear systems with Gaussian noise.
method Develops a learning-based safety filter using empirical model and noise covariance, optimizing control actions to stay within safety constraints.
result Minimally modifies nominal control actions to ensure safety with high probability, tightening constraints as more data is collected.
In the last few years, we have seen the transformative impact of deep learning in many applications, particularly in speech recognition and computer vision. Inspired by Google's Inception-ResNet deep convolutional neural network (CNN) for image classification, we have developed "Chemception", a deep CNN for the predict…
SafeML monitors ML systems for safety and security risks.
problem Ensuring safety and explainability of ML systems in safety-critical domains.
method Statistical difference measures of ECDF to detect distributional shifts.
result Approach can detect invalid application contexts of ML components.
Paper defines and quantifies safety risks in deep neural networks.
problem Safety concerns in deep neural networks applied to critical sectors.
method Defines safety property, computes maximum safe radius, identifies new risk class, develops algorithm.
result Method achieves competitive performance in safety quantification.
Study best arm identification with safety constraints in bandit problems.
problem Real-world decision-making with safety constraints.
method Analyzed linear and monotonic reward and safety constraints, proposed algorithms.
result Guaranteed safe learning in both linear and general reward/safety constraint settings.
Failures are challenging for learning to control physical systems since they risk damage, time-consuming resets, and often provide little gradient information. Adding safety constraints to exploration typically requires a lot of prior knowledge and domain expertise. We present a safety measure which implicitly captures…
The meteoric rise of deep learning models in computer vision research, having achieved human-level accuracy in image recognition tasks is firm evidence of the impact of representation learning of deep neural networks. In the chemistry domain, recent advances have also led to the development of similar CNN models, such …