We use cookies to analyze the browsing and usage of our website and to personalize your experience. You can disable these technologies at any time, but this may limit certain functionalities of the site. Read our Privacy Policy for more information.
Setting cookies
You can enable and disable the types of cookies you wish to accept. However certain choices you make could affect the services offered on our sites (e.g. suggestions, personalised ads, etc.).
Essential cookies
These cookies are necessary for the operation of the site and cannot be deactivated. (Still active)
Analytics cookies
Do you accept the use of cookies to measure the audience of our sites?
Multimedia Player
Do you accept the use of cookies to display and allow you to watch the video content hosted by our partners (YouTube, etc.)?
Publications
Learning Heuristics for Transit Network Design and Improvement with Deep Reinforcement Learning
Specifications play a crucial role in neural network verification. They define the precise input regions we aim to verify, typically represe… (see more)nted as L-infinity norm balls. While recent research suggests using neural activation patterns (NAPs) as specifications for verifying unseen test set data, it focuses on computing the most refined NAPs, often limited to very small regions in the input space. In this paper, we study the following problem: Given a neural network, find a minimal (coarsest) NAP that is sufficient for formal verification of the network's robustness. Finding the minimal NAP specification not only expands verifiable bounds but also provides insights into which neurons contribute to the model's robustness. To address this problem, we propose several exact and approximate approaches. Our exact approaches leverage the verification tool to find minimal NAP specifications in either a deterministic or statistical manner. Whereas the approximate methods efficiently estimate minimal NAPs using adversarial examples and local gradients, without making calls to the verification tool. This allows us to inspect potential causal links between neurons and the robustness of state-of-the-art neural networks, a task for which existing verification frameworks fail to scale. Our experimental results suggest that minimal NAP specifications require much smaller fractions of neurons compared to the most refined NAP specifications, yet they can significantly expand the verifiable boundaries to several orders of magnitude larger.
Computing differences between tree-structured data is a critical but challenging problem in software analysis. In this paper, we propose a n… (see more)ovel tree diffing approach called SatDiff, which reformulates the structural diffing problem into a MaxSAT problem. By encoding the necessary transformations from the source tree to the target tree, SatDiff generates correct, minimal, and type safe low-level edit scripts with formal guarantees. We then synthesize concise high-level edit scripts by effectively merging low-level edits in the appropriate topological order. Our empirical results demonstrate that SatDiff outperforms existing heuristic-based approaches by a significant margin in terms of conciseness while maintaining a reasonable runtime.
The jar test is the current standard method for predicting the performance of a conventional drinking water treatment (DWT) process and opti… (see more)mizing the coagulant dose. This test is time-consuming and requires human intervention, meaning it is infeasible for making continuous process predictions. As a potential alternative, we developed a machine learning (ML) model from historical DWT plant data that can operate continuously using real-time sensor data without human intervention for predicting clarified water turbidity 15 min in advance. We evaluated three types of models: multilayer perceptron (MLP), the long short-term memory (LSTM) recurrent neural network (RNN), and the gated recurrent unit (GRU) RNN. We also employed two training methodologies: the commonly used holdout method and the theoretically correct blocked cross-validation (BCV) method. We found that the RNN with GRU was the best model type overall and achieved a mean absolute error on an independent production set of as low as 0.044 NTU. We further found that models trained using BCV typically achieve errors equal to or lower than their counterparts trained using holdout. These results suggest that RNNs trained using BCV are superior for the development of ML models for DWT processes compared to those reported in earlier literature.
Suicide is a complex, multidimensional event, and a significant challenge for prevention globally. Artificial intelligence (AI) and machine … (see more)learning (ML) have emerged to harness large-scale datasets to enhance risk detection. In order to trust and act upon the predictions made with ML, more intuitive user interfaces must be validated. Thus, Interpretable AI is one of the crucial directions which could allow policy and decision makers to make reasonable and data-driven decisions that can ultimately lead to better mental health services planning and suicide prevention. This research aimed to develop sex-specific ML models for predicting the population risk of suicide and to interpret the models. Data were from the Quebec Integrated Chronic Disease Surveillance System (QICDSS), covering up to 98% of the population in the province of Quebec and containing data for over 20,000 suicides between 2002 and 2019. We employed a case-control study design. Individuals were considered cases if they were aged 15+ and had died from suicide between January 1st, 2002, and December 31st, 2019 (n = 18339). Controls were a random sample of 1% of the Quebec population aged 15+ of each year, who were alive on December 31st of each year, from 2002 to 2019 (n = 1,307,370). We included 103 features, including individual, programmatic, systemic, and community factors, measured up to five years prior to the suicide events. We trained and then validated the sex-specific predictive risk model using supervised ML algorithms, including Logistic Regression (LR), Random Forest (RF), Extreme Gradient Boosting (XGBoost) and Multilayer perceptron (MLP). We computed operating characteristics, including sensitivity, specificity, and Positive Predictive Value (PPV). We then generated receiver operating characteristic (ROC) curves to predict suicides and calibration measures. For interpretability, Shapley Additive Explanations (SHAP) was used with the global explanation to determine how much the input features contribute to the models’ output and the largest absolute coefficients. The best sensitivity was 0.38 with logistic regression for males and 0.47 with MLP for females; the XGBoost Classifier with 0.25 for males and 0.19 for females had the best precision (PPV). This study demonstrated the useful potential of explainable AI models as tools for decision-making and population-level suicide prevention actions. The ML models included individual, programmatic, systemic, and community levels variables available routinely to decision makers and planners in a public managed care system. Caution shall be exercised in the interpretation of variables associated in a predictive model since they are not causal, and other designs are required to establish the value of individual treatments. The next steps are to produce an intuitive user interface for decision makers, planners and other stakeholders like clinicians or representatives of families and people with live experience of suicidal behaviors or death by suicide. For example, how variations in the quality of local area primary care programs for depression or substance use disorders or increased in regional mental health and addiction budgets would lower suicide rates.
Few-shot learning has recently attracted significant interest in drug discovery, with a recent, fast-growing literature mostly involving con… (see more)voluted meta-learning strategies. We revisit the more straightforward fine-tuning approach for molecular data, and propose a regularized quadratic-probe loss based on the the Mahalanobis distance. We design a dedicated block-coordinate descent optimizer, which avoid the degenerate solutions of our loss. Interestingly, our simple fine-tuning approach achieves highly competitive performances in comparison to state-of-the-art methods, while being applicable to black-box settings and removing the need for specific episodic pre-training strategies. Furthermore, we introduce a new benchmark to assess the robustness of the competing methods to domain shifts. In this setting, our fine-tuning baseline obtains consistently better results than meta-learning methods.
At least half of the world's population do not have access to essential health services. Worse, large numbers of households are being pushed… (see more) into poverty because they must pay for health care out of their own pockets.