Abstract:Large multi-modal language models are increasingly deployed in high-stakes domains, making well-calibrated uncertainty essential. Traditional Bayesian methods approximate posteriors over all model weights, which becomes intractable for modern large models. For this reason, recent work instead considers Bayesian low-rank adaptation to enable tractable posterior approximation. Due to a lack of a standardized benchmark to evaluate these approaches, it remains unclear where these methods provide meaningful benefits. To fill this gap, we introduce Bayesian Adaptation Gym (BAG), a benchmark for the Bayesian adaptation of multi-modal language models. BAG provides reference implementations of classic Bayesian baselines and state-of-the-art adaptation methods, along with a multi-modal dataset and task suite designed to probe calibration, robustness under distribution shift, and decision-making under uncertainty via active learning. Using BAG, we conduct and report extensive experiments across model sizes, datasets, and tasks to highlight the successes and failures of current Bayesian adaptation approaches. To enable further research, BAG is fully open source: https://github.com/SRI-CSL/BayesAdapt.
Abstract:In this work we present a LLM powered, evolutionary code synthesis system for structured data translation in a Medical Internet of Things settings. A key challenge in this domain is ensuring that the synthesized code is trustworthy and reliable. To this end, we integrate a formal verification step into our code synthesis pipeline to ensure that any generated code is guaranteed to satisfy predefined requirements. In particular, we present a case study of integrating a novel device (a pulse oximeter) into the existing network of devices. Our system generates a formally verified translation between the device's JSON schema and the Fast Healthcare Interoperability Resources (FHIR) format used by the wider system. This formal verification stage ensures structured data translated by the generated code will always be in the target output schema. We provide a set of experimental results which demonstrate that our system is able to consistently generate correct translation at low cost.
Abstract: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.




Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.




Abstract: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.




Abstract: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.