ROJun 8, 2023Code
AircraftVerse: A Large-Scale Multimodal Dataset of Aerial Vehicle DesignsAdam D. Cobb, Anirban Roy, Daniel Elenius et al.
We present AircraftVerse, a publicly available aerial vehicle design dataset. Aircraft design encompasses different physics domains and, hence, multiple modalities of representation. The evaluation of these cyber-physical system (CPS) designs requires the use of scientific analytical and simulation models ranging from computer-aided design tools for structural and manufacturing analysis, computational fluid dynamics tools for drag and lift computation, battery models for energy estimation, and simulation models for flight control and dynamics. AircraftVerse contains 27,714 diverse air vehicle designs - the largest corpus of engineering designs with this level of complexity. Each design comprises the following artifacts: a symbolic design tree describing topology, propulsion subsystem, battery subsystem, and other design details; a STandard for the Exchange of Product (STEP) model data; a 3D CAD design using a stereolithography (STL) file format; a 3D point cloud for the shape of the design; and evaluation results from high fidelity state-of-the-art physics models that characterize performance metrics such as maximum flight distance and hover-time. We also present baseline surrogate models that use different modalities of design representation to predict design performance metrics, which we provide as part of our dataset release. Finally, we discuss the potential impact of this dataset on the use of learning in aircraft design and, more generally, in CPS. AircraftVerse is accompanied by a data card, and it is released under Creative Commons Attribution-ShareAlike (CC BY-SA) license. The dataset is hosted at https://zenodo.org/record/6525446, baseline models and code at https://github.com/SRI-CSL/AircraftVerse, and the dataset description at https://aircraftverse.onrender.com/.
MLNov 17, 2023Code
Direct Amortized Likelihood Ratio EstimationAdam D. Cobb, Brian Matejek, Daniel Elenius et al.
We introduce a new amortized likelihood ratio estimator for likelihood-free simulation-based inference (SBI). Our estimator is simple to train and estimates the likelihood ratio using a single forward pass of the neural estimator. Our approach directly computes the likelihood ratio between two competing parameter sets which is different from the previous approach of comparing two neural network output values. We refer to our model as the direct neural ratio estimator (DNRE). As part of introducing the DNRE, we derive a corresponding Monte Carlo estimate of the posterior. We benchmark our new ratio estimator and compare to previous ratio estimators in the literature. We show that our new ratio estimator often outperforms these previous approaches. As a further contribution, we introduce a new derivative estimator for likelihood ratio estimators that enables us to compare likelihood-free Hamiltonian Monte Carlo (HMC) with random-walk Metropolis-Hastings (MH). We show that HMC is equally competitive, which has not been previously shown. Finally, we include a novel real-world application of SBI by using our neural ratio estimator to design a quadcopter. Code is available at https://github.com/SRI-CSL/dnre.
82.0CRApr 22Code
Breaking Bad: Interpretability-Based Safety Audits of State-of-the-Art LLMsKrishiv Agarwal, Ramneet Kaur, Colin Samplawski et al.
Effective safety auditing of large language models (LLMs) demands tools that go beyond black-box probing and systematically uncover vulnerabilities rooted in model internals. We present a comprehensive, interpretability-driven jailbreaking audit of eight SOTA open-source LLMs: Llama-3.1-8B, Llama-3.3-70B-4bt, GPT-oss- 20B, GPT-oss-120B, Qwen3-0.6B, Qwen3-32B, Phi4-3.8B, and Phi4-14B. Leveraging interpretability-based approaches -- Universal Steering (US) and Representation Engineering (RepE) -- we introduce an adaptive two-stage grid search algorithm to identify optimal activation-steering coefficients for unsafe behavioral concepts. Our evaluation, conducted on a curated set of harmful queries and a standardized LLM-based judging protocol, reveals stark contrasts in model robustness. The Llama-3 models are highly vulnerable, with up to 91\% (US) and 83\% (RepE) jailbroken responses on Llama-3.3-70B-4bt, while GPT-oss-120B remains robust to attacks via both interpretability approaches. Qwen and Phi models show mixed results, with the smaller Qwen3-0.6B and Phi4-3.8B mostly exhibiting lower jailbreaking rates, while their larger counterparts are more susceptible. Our results establish interpretability-based steering as a powerful tool for systematic safety audits, but also highlight its dual-use risks and the need for better internal defenses in LLM deployment.
LGAug 19, 2024Code
Second-Order Forward-Mode Automatic Differentiation for OptimizationAdam D. Cobb, Atılım Güneş Baydin, Barak A. Pearlmutter et al.
This paper introduces a second-order hyperplane search, a novel optimization step that generalizes a second-order line search from a line to a $k$-dimensional hyperplane. This, combined with the forward-mode stochastic gradient method, yields a second-order optimization algorithm that consists of forward passes only, completely avoiding the storage overhead of backpropagation. Unlike recent work that relies on directional derivatives (or Jacobian--Vector Products, JVPs), we use hyper-dual numbers to jointly evaluate both directional derivatives and their second-order quadratic terms. As a result, we introduce forward-mode weight perturbation with Hessian information (FoMoH). We then use FoMoH to develop a novel generalization of line search by extending it to a hyperplane search. We illustrate the utility of this extension and how it might be used to overcome some of the recent challenges of optimizing machine learning models without backpropagation. Our code is open-sourced at https://github.com/SRI-CSL/fomoh.
LGNov 11, 2022
Design of Unmanned Air Vehicles Using Transformer Surrogate ModelsAdam D. Cobb, Anirban Roy, Daniel Elenius et al.
Computer-aided design (CAD) is a promising new area for the application of artificial intelligence (AI) and machine learning (ML). The current practice of design of cyber-physical systems uses the digital twin methodology, wherein the actual physical design is preceded by building detailed models that can be evaluated by physics simulation models. These physics models are often slow and the manual design process often relies on exploring near-by variations of existing designs. AI holds the promise of breaking these design silos and increasing the diversity and performance of designs by accelerating the exploration of the design space. In this paper, we focus on the design of electrical unmanned aerial vehicles (UAVs). The high-density batteries and purely electrical propulsion systems have disrupted the space of UAV design, making this domain an ideal target for AI-based design. In this paper, we develop an AI Designer that synthesizes novel UAV designs. Our approach uses a deep transformer model with a novel domain-specific encoding such that we can evaluate the performance of new proposed designs without running expensive flight dynamics models and CAD tools. We demonstrate that our approach significantly reduces the overall compute requirements for the design process and accelerates the design space exploration. Finally, we identify future research directions to achieve full-scale deployment of AI-assisted CAD for UAVs.
36.4AIMar 27
From Actions to Understanding: Conformal Interpretability of Temporal Concepts in LLM AgentsTrilok Padhi, Ramneet Kaur, Krishiv Agarwal et al.
Large Language Models (LLMs) are increasingly deployed as autonomous agents capable of reasoning, planning, and acting within interactive environments. Despite their growing capability to perform multi-step reasoning and decision-making tasks, internal mechanisms guiding their sequential behavior remain opaque. This paper presents a framework for interpreting the temporal evolution of concepts in LLM agents through a step-wise conformal lens. We introduce the conformal interpretability framework for temporal tasks, which combines step-wise reward modeling with conformal prediction to statistically label model's internal representation at each step as successful or failing. Linear probes are then trained on these representations to identify directions of temporal concepts - latent directions in the model's activation space that correspond to consistent notions of success, failure or reasoning drift. Experimental results on two simulated interactive environments, namely ScienceWorld and AlfWorld, demonstrate that these temporal concepts are linearly separable, revealing interpretable structures aligned with task success. We further show preliminary results on improving an LLM agent's performance by leveraging the proposed framework for steering the identified successful directions inside the model. The proposed approach, thus, offers a principled method for early failure detection as well as intervention in LLM-based agents, paving the path towards trustworthy autonomous language models in complex interactive settings.
LGSep 17, 2025Code
Privacy Preserving In-Context-Learning Framework for Large Language ModelsBishnu Bhusal, Manoj Acharya, Ramneet Kaur et al.
Large language models (LLMs) have significantly transformed natural language understanding and generation, but they raise privacy concerns due to potential exposure of sensitive information. Studies have highlighted the risk of information leakage, where adversaries can extract sensitive information embedded in the prompts. In this work, we introduce a novel private prediction framework for generating high-quality synthetic text with strong privacy guarantees. Our approach leverages the Differential Privacy (DP) framework to ensure worst-case theoretical bounds on information leakage without requiring any fine-tuning of the underlying models. The proposed method performs inference on private records and aggregates the resulting per-token output distributions. This enables the generation of longer and coherent synthetic text while maintaining privacy guarantees. Additionally, we propose a simple blending operation that combines private and public inference to further enhance utility. Empirical evaluations demonstrate that our approach outperforms previous state-of-the-art methods on in-context-learning (ICL) tasks, making it a promising direction for privacy-preserving text generation while maintaining high utility. Our code is available at https://github.com/bhusalb/privacy-preserving-icl.
LGJul 8, 2020Code
URSABench: Comprehensive Benchmarking of Approximate Bayesian Inference Methods for Deep Neural NetworksMeet P. Vadera, Adam D. Cobb, Brian Jalaian et al.
While deep learning methods continue to improve in predictive accuracy on a wide range of application domains, significant issues remain with other aspects of their performance including their ability to quantify uncertainty and their robustness. Recent advances in approximate Bayesian inference hold significant promise for addressing these concerns, but the computational scalability of these methods can be problematic when applied to large-scale models. In this paper, we describe initial work on the development ofURSABench(the Uncertainty, Robustness, Scalability, and Accu-racy Benchmark), an open-source suite of bench-marking tools for comprehensive assessment of approximate Bayesian inference methods with a focus on deep learning-based classification tasks
MLOct 14, 2019Code
Introducing an Explicit Symplectic Integration Scheme for Riemannian Manifold Hamiltonian Monte CarloAdam D. Cobb, Atılım Güneş Baydin, Andrew Markham et al.
We introduce a recent symplectic integration scheme derived for solving physically motivated systems with non-separable Hamiltonians. We show its relevance to Riemannian manifold Hamiltonian Monte Carlo (RMHMC) and provide an alternative to the currently used generalised leapfrog symplectic integrator, which relies on solving multiple fixed point iterations to convergence. Via this approach, we are able to reduce the number of higher-order derivative calculations per leapfrog step. We explore the implications of this integrator and demonstrate its efficacy in reducing the computational burden of RMHMC. Our code is provided in a new open-source Python package, hamiltorch.
AINov 4, 2024
Addressing Uncertainty in LLMs to Enhance Reliability in Generative AIRamneet Kaur, Colin Samplawski, Adam D. Cobb et al.
In this paper, we present a dynamic semantic clustering approach inspired by the Chinese Restaurant Process, aimed at addressing uncertainty in the inference of Large Language Models (LLMs). We quantify uncertainty of an LLM on a given query by calculating entropy of the generated semantic clusters. Further, we propose leveraging the (negative) likelihood of these clusters as the (non)conformity score within Conformal Prediction framework, allowing the model to predict a set of responses instead of a single output, thereby accounting for uncertainty in its predictions. We demonstrate the effectiveness of our uncertainty quantification (UQ) technique on two well known question answering benchmarks, COQA and TriviaQA, utilizing two LLMs, Llama2 and Mistral. Our approach achieves SOTA performance in UQ, as assessed by metrics such as AUROC, AUARC, and AURAC. The proposed conformal predictor is also shown to produce smaller prediction sets while maintaining the same probabilistic guarantee of including the correct response, in comparison to existing SOTA conformal prediction baseline.
CLApr 30, 2025
Calibrating Uncertainty Quantification of Multi-Modal LLMs using GroundingTrilok Padhi, Ramneet Kaur, Adam D. Cobb et al.
We introduce a novel approach for calibrating uncertainty quantification (UQ) tailored for multi-modal large language models (LLMs). Existing state-of-the-art UQ methods rely on consistency among multiple responses generated by the LLM on an input query under diverse settings. However, these approaches often report higher confidence in scenarios where the LLM is consistently incorrect. This leads to a poorly calibrated confidence with respect to accuracy. To address this, we leverage cross-modal consistency in addition to self-consistency to improve the calibration of the multi-modal models. Specifically, we ground the textual responses to the visual inputs. The confidence from the grounding model is used to calibrate the overall confidence. Given that using a grounding model adds its own uncertainty in the pipeline, we apply temperature scaling - a widely accepted parametric calibration technique - to calibrate the grounding model's confidence in the accuracy of generated responses. We evaluate the proposed approach across multiple multi-modal tasks, such as medical question answering (Slake) and visual question answering (VQAv2), considering multi-modal models such as LLaVA-Med and LLaVA. The experiments demonstrate that the proposed framework achieves significantly improved calibration on both tasks.
CLSep 4, 2025
Polysemantic Dropout: Conformal OOD Detection for Specialized LLMsAyush Gupta, Ramneet Kaur, Anirban Roy et al. · amazon-science
We propose a novel inference-time out-of-domain (OOD) detection algorithm for specialized large language models (LLMs). Despite achieving state-of-the-art performance on in-domain tasks through fine-tuning, specialized LLMs remain vulnerable to incorrect or unreliable outputs when presented with OOD inputs, posing risks in critical applications. Our method leverages the Inductive Conformal Anomaly Detection (ICAD) framework, using a new non-conformity measure based on the model's dropout tolerance. Motivated by recent findings on polysemanticity and redundancy in LLMs, we hypothesize that in-domain inputs exhibit higher dropout tolerance than OOD inputs. We aggregate dropout tolerance across multiple layers via a valid ensemble approach, improving detection while maintaining theoretical false alarm bounds from ICAD. Experiments with medical-specialized LLMs show that our approach detects OOD inputs better than baseline methods, with AUROC improvements of $2\%$ to $37\%$ when treating OOD datapoints as positives and in-domain test datapoints as negatives.
LGJun 26, 2025
Scalable Bayesian Low-Rank Adaptation of Large Language Models via Stochastic Variational Subspace InferenceColin Samplawski, Adam D. Cobb, Manoj Acharya et al.
Despite their widespread use, large language models (LLMs) are known to hallucinate incorrect information and be poorly calibrated. This makes the uncertainty quantification of these models of critical importance, especially in high-stakes domains, such as autonomy and healthcare. Prior work has made Bayesian deep learning-based approaches to this problem more tractable by performing inference over the low-rank adaptation (LoRA) parameters of a fine-tuned model. While effective, these approaches struggle to scale to larger LLMs due to requiring further additional parameters compared to LoRA. In this work we present $\textbf{Scala}$ble $\textbf{B}$ayesian $\textbf{L}$ow-Rank Adaptation via Stochastic Variational Subspace Inference (ScalaBL). We perform Bayesian inference in an $r$-dimensional subspace, for LoRA rank $r$. By repurposing the LoRA parameters as projection matrices, we are able to map samples from this subspace into the full weight space of the LLM. This allows us to learn all the parameters of our approach using stochastic variational inference. Despite the low dimensionality of our subspace, we are able to achieve competitive performance with state-of-the-art approaches while only requiring ${\sim}1000$ additional parameters. Furthermore, it allows us to scale up to the largest Bayesian LLM to date, with four times as a many base parameters as prior work.
LGMay 23, 2025
Backpropagation-Free Metropolis-Adjusted Langevin AlgorithmAdam D. Cobb, Susmit Jha
Recent work on backpropagation-free learning has shown that it is possible to use forward-mode automatic differentiation (AD) to perform optimization on differentiable models. Forward-mode AD requires sampling a tangent vector for each forward pass of a model. The result is the model evaluation with the directional derivative along the tangent. In this paper, we illustrate how the sampling of this tangent vector can be incorporated into the proposal mechanism for the Metropolis-Adjusted Langevin Algorithm (MALA). As such, we are the first to introduce a backpropagation-free gradient-based Markov chain Monte Carlo (MCMC) algorithm. We also extend to a novel backpropagation-free position-specific preconditioned forward-mode MALA that leverages Hessian information. Overall, we propose four new algorithms: Forward MALA; Line Forward MALA; Pre-conditioned Forward MALA, and Pre-conditioned Line Forward MALA. We highlight the reduced computational cost of the forward-mode samplers and show that forward-mode is competitive with the original MALA, while even outperforming it depending on the probabilistic model. We include Bayesian inference results on a range of probabilistic models, including hierarchical distributions and Bayesian neural networks.
LGApr 11, 2025
AGENT: An Aerial Vehicle Generation and Design Tool Using Large Language ModelsColin Samplawski, Adam D. Cobb, Susmit Jha
Computer-aided design (CAD) is a promising application area for emerging artificial intelligence methods. Traditional workflows for cyberphysical systems create detailed digital models which can be evaluated by physics simulators in order to narrow the search space before creating physical prototypes. A major bottleneck of this approach is that the simulators are often computationally expensive and slow. Recent advancements in AI methods offer the possibility to accelerate these pipelines. We use the recently released AircraftVerse dataset, which is especially suited for developing and evaluating large language models for designs. AircraftVerse contains a diverse set of UAV designs represented via textual design trees together with detailed physics simulation results. Following the recent success of large language models (LLMs), we propose AGENT (Aircraft GENeraTor). AGENT is a comprehensive design tool built on the CodeT5+ LLM which learns powerful representations of aircraft textual designs directly from JSON files. We develop a curriculum of training tasks which imbues a single model with a suite of useful features. AGENT is able to generate designs conditioned on properties of flight dynamics (hover time, maximum speed, etc.). Additionally, AGENT can issue evaluations of designs allowing it to act as a surrogate model of the physics simulation that underlies the AircraftVerse dataset. We present a series of experiments which demonstrate our system's abilities. We are able to achieve strong performance using the smallest member of the CodeT5+ family (220M parameters). This allows for a flexible and powerful system which can be executed on a single GPU enabling a clear path toward future deployment.
LGFeb 8, 2022
Impact of Parameter Sparsity on Stochastic Gradient MCMC Methods for Bayesian Deep LearningMeet P. Vadera, Adam D. Cobb, Brian Jalaian et al.
Bayesian methods hold significant promise for improving the uncertainty quantification ability and robustness of deep neural network models. Recent research has seen the investigation of a number of approximate Bayesian inference methods for deep neural networks, building on both the variational Bayesian and Markov chain Monte Carlo (MCMC) frameworks. A fundamental issue with MCMC methods is that the improvements they enable are obtained at the expense of increased computation time and model storage costs. In this paper, we investigate the potential of sparse network structures to flexibly trade-off model storage costs and inference run time against predictive performance and uncertainty quantification ability. We use stochastic gradient MCMC methods as the core Bayesian inference method and consider a variety of approaches for selecting sparse network structures. Surprisingly, our results show that certain classes of randomly selected substructures can perform as well as substructures derived from state-of-the-art iterative pruning methods while drastically reducing model training times.
SDOct 14, 2021
HumBugDB: A Large-scale Acoustic Mosquito DatasetIvan Kiskin, Marianne Sinka, Adam D. Cobb et al.
This paper presents the first large-scale multi-species dataset of acoustic recordings of mosquitoes tracked continuously in free flight. We present 20 hours of audio recordings that we have expertly labelled and tagged precisely in time. Significantly, 18 hours of recordings contain annotations from 36 different species. Mosquitoes are well-known carriers of diseases such as malaria, dengue and yellow fever. Collecting this dataset is motivated by the need to assist applications which utilise mosquito acoustics to conduct surveys to help predict outbreaks and inform intervention policy. The task of detecting mosquitoes from the sound of their wingbeats is challenging due to the difficulty in collecting recordings from realistic scenarios. To address this, as part of the HumBug project, we conducted global experiments to record mosquitoes ranging from those bred in culture cages to mosquitoes captured in the wild. Consequently, the audio recordings vary in signal-to-noise ratio and contain a broad range of indoor and outdoor background environments from Tanzania, Thailand, Kenya, the USA and the UK. In this paper we describe in detail how we collected, labelled and curated the data. The data is provided from a PostgreSQL database, which contains important metadata such as the capture method, age, feeding status and gender of the mosquitoes. Additionally, we provide code to extract features and train Bayesian convolutional neural networks for two key tasks: the identification of mosquitoes from their corresponding background environments, and the classification of detected mosquitoes into species. Our extensive dataset is both challenging to machine learning researchers focusing on acoustic identification, and critical to entomologists, geo-spatial modellers and other domain experts to understand mosquito behaviour, model their distribution, and manage the threat they pose to humans.
MLOct 14, 2020
Scaling Hamiltonian Monte Carlo Inference for Bayesian Neural Networks with Symmetric SplittingAdam D. Cobb, Brian Jalaian
Hamiltonian Monte Carlo (HMC) is a Markov chain Monte Carlo (MCMC) approach that exhibits favourable exploration properties in high-dimensional models such as neural networks. Unfortunately, HMC has limited use in large-data regimes and little work has explored suitable approaches that aim to preserve the entire Hamiltonian. In our work, we introduce a new symmetric integration scheme for split HMC that does not rely on stochastic gradients. We show that our new formulation is more efficient than previous approaches and is easy to implement with a single GPU. As a result, we are able to perform full HMC over common deep learning architectures using entire data sets. In addition, when we compare with stochastic gradient MCMC, we show that our method achieves better performance in both accuracy and uncertainty quantification. Our approach demonstrates HMC as a feasible option when considering inference schemes for large-scale machine learning problems.
LGJan 14, 2020
HumBug Zooniverse: a crowd-sourced acoustic mosquito datasetIvan Kiskin, Adam D. Cobb, Lawrence Wang et al.
Mosquitoes are the only known vector of malaria, which leads to hundreds of thousands of deaths each year. Understanding the number and location of potential mosquito vectors is of paramount importance to aid the reduction of malaria transmission cases. In recent years, deep learning has become widely used for bioacoustic classification tasks. In order to enable further research applications in this field, we release a new dataset of mosquito audio recordings. With over a thousand contributors, we obtained 195,434 labels of two second duration, of which approximately 10 percent signify mosquito events. We present an example use of the dataset, in which we train a convolutional neural network on log-Mel features, showcasing the information content of the labels. We hope this will become a vital resource for those researching all aspects of malaria, and add to the existing audio datasets for bioacoustic detection and signal processing.
EPMay 25, 2019
An Ensemble of Bayesian Neural Networks for Exoplanetary Atmospheric RetrievalAdam D. Cobb, Michael D. Himes, Frank Soboczenski et al.
Machine learning is now used in many areas of astrophysics, from detecting exoplanets in Kepler transit signals to removing telescope systematics. Recent work demonstrated the potential of using machine learning algorithms for atmospheric retrieval by implementing a random forest to perform retrievals in seconds that are consistent with the traditional, computationally-expensive nested-sampling retrieval method. We expand upon their approach by presenting a new machine learning model, \texttt{plan-net}, based on an ensemble of Bayesian neural networks that yields more accurate inferences than the random forest for the same data set of synthetic transmission spectra. We demonstrate that an ensemble provides greater accuracy and more robust uncertainties than a single model. In addition to being the first to use Bayesian neural networks for atmospheric retrieval, we also introduce a new loss function for Bayesian neural networks that learns correlations between the model outputs. Importantly, we show that designing machine learning models to explicitly incorporate domain-specific knowledge both improves performance and provides additional insight by inferring the covariance of the retrieved atmospheric parameters. We apply \texttt{plan-net} to the Hubble Space Telescope Wide Field Camera 3 transmission spectrum for WASP-12b and retrieve an isothermal temperature and water abundance consistent with the literature. We highlight that our method is flexible and can be expanded to higher-resolution spectra and a larger number of atmospheric parameters.
MLDec 12, 2018
Bayesian deep neural networks for low-cost neurophysiological markers of Alzheimer's disease severityWolfgang Fruehwirt, Adam D. Cobb, Martin Mairhofer et al.
As societies around the world are ageing, the number of Alzheimer's disease (AD) patients is rapidly increasing. To date, no low-cost, non-invasive biomarkers have been established to advance the objectivization of AD diagnosis and progression assessment. Here, we utilize Bayesian neural networks to develop a multivariate predictor for AD severity using a wide range of quantitative EEG (QEEG) markers. The Bayesian treatment of neural networks both automatically controls model complexity and provides a predictive distribution over the target function, giving uncertainty bounds for our regression task. It is therefore well suited to clinical neuroscience, where data sets are typically sparse and practitioners require a precise assessment of the predictive uncertainty. We use data of one of the largest prospective AD EEG trials ever conducted to demonstrate the potential of Bayesian deep learning in this domain, while comparing two distinct Bayesian neural network approaches, i.e., Monte Carlo dropout and Hamiltonian Monte Carlo.
EPNov 8, 2018
Bayesian Deep Learning for Exoplanet Atmospheric RetrievalFrank Soboczenski, Michael D. Himes, Molly D. O'Beirne et al.
Over the past decade, the study of extrasolar planets has evolved rapidly from plain detection and identification to comprehensive categorization and characterization of exoplanet systems and their atmospheres. Atmospheric retrieval, the inverse modeling technique used to determine an exoplanetary atmosphere's temperature structure and composition from an observed spectrum, is both time-consuming and compute-intensive, requiring complex algorithms that compare thousands to millions of atmospheric models to the observational data to find the most probable values and associated uncertainties for each model parameter. For rocky, terrestrial planets, the retrieved atmospheric composition can give insight into the surface fluxes of gaseous species necessary to maintain the stability of that atmosphere, which may in turn provide insight into the geological and/or biological processes active on the planet. These atmospheres contain many molecules, some of them biosignatures, spectral fingerprints indicative of biological activity, which will become observable with the next generation of telescopes. Runtimes of traditional retrieval models scale with the number of model parameters, so as more molecular species are considered, runtimes can become prohibitively long. Recent advances in machine learning (ML) and computer vision offer new ways to reduce the time to perform a retrieval by orders of magnitude, given a sufficient data set to train with. Here we present an ML-based retrieval framework called Intelligent exoplaNet Atmospheric RetrievAl (INARA) that consists of a Bayesian deep learning model for retrieval and a data set of 3,000,000 synthetic rocky exoplanetary spectra generated using the NASA Planetary Spectrum Generator. Our work represents the first ML retrieval model for rocky, terrestrial exoplanets and the first synthetic data set of terrestrial spectra generated at this scale.
MLMay 10, 2018
Loss-Calibrated Approximate Inference in Bayesian Neural NetworksAdam D. Cobb, Stephen J. Roberts, Yarin Gal
Current approaches in approximate inference for Bayesian neural networks minimise the Kullback-Leibler divergence to approximate the true posterior over the weights. However, this approximation is without knowledge of the final application, and therefore cannot guarantee optimal predictions for a given task. To make more suitable task-specific approximations, we introduce a new loss-calibrated evidence lower bound for Bayesian neural networks in the context of supervised learning, informed by Bayesian decision theory. By introducing a lower bound that depends on a utility function, we ensure that our approximation achieves higher utility than traditional methods for applications that have asymmetric utility functions. Furthermore, in using dropout inference, we highlight that our new objective is identical to that of standard dropout neural networks, with an additional utility-dependent penalty term. We demonstrate our new loss-calibrated model with an illustrative medical example and a restricted model capacity experiment, and highlight failure modes of the comparable weighted cross entropy approach. Lastly, we demonstrate the scalability of our method to real world applications with per-pixel semantic segmentation on an autonomous driving data set.
MAFeb 22, 2018
Identifying Sources and Sinks in the Presence of Multiple Agents with Gaussian Process Vector CalculusAdam D. Cobb, Richard Everett, Andrew Markham et al.
In systems of multiple agents, identifying the cause of observed agent dynamics is challenging. Often, these agents operate in diverse, non-stationary environments, where models rely on hand-crafted environment-specific features to infer influential regions in the system's surroundings. To overcome the limitations of these inflexible models, we present GP-LAPLACE, a technique for locating sources and sinks from trajectories in time-varying fields. Using Gaussian processes, we jointly infer a spatio-temporal vector field, as well as canonical vector calculus operations on that field. Notably, we do this from only agent trajectories without requiring knowledge of the environment, and also obtain a metric for denoting the significance of inferred causal features in the environment by exploiting our probabilistic method. To evaluate our approach, we apply it to both synthetic and real-world GPS data, demonstrating the applicability of our technique in the presence of multiple agents, as well as its superiority over existing methods.
AISep 7, 2017
Learning from lions: inferring the utility of agents from their trajectoriesAdam D. Cobb, Andrew Markham, Stephen J. Roberts
We build a model using Gaussian processes to infer a spatio-temporal vector field from observed agent trajectories. Significant landmarks or influence points in agent surroundings are jointly derived through vector calculus operations that indicate presence of sources and sinks. We evaluate these influence points by using the Kullback-Leibler divergence between the posterior and prior Laplacian of the inferred spatio-temporal vector field. Through locating significant features that influence trajectories, our model aims to give greater insight into underlying causal utility functions that determine agent decision-making. A key feature of our model is that it infers a joint Gaussian process over the observed trajectories, the time-varying vector field of utility and canonical vector calculus operators. We apply our model to both synthetic data and lion GPS data collected at the Bubye Valley Conservancy in southern Zimbabwe.