Backpropagation-Free Metropolis-Adjusted Langevin Algorithm

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.

On the Evaluation of Engineering Artificial General Intelligence

We discuss the challenges and propose a framework for evaluating engineering artificial general intelligence (eAGI) agents. We consider eAGI as a specialization of artificial general intelligence (AGI), deemed capable of addressing a broad range of problems in the engineering of physical systems and associated controllers. We exclude software engineering for a tractable scoping of eAGI and expect dedicated software engineering AI agents to address the software implementation challenges. Similar to human engineers, eAGI agents should possess a unique blend of background knowledge (recall and retrieve) of facts and methods, demonstrate familiarity with tools and processes, exhibit deep understanding of industrial components and well-known design families, and be able to engage in creative problem solving (analyze and synthesize), transferring ideas acquired in one context to another. Given this broad mandate, evaluating and qualifying the performance of eAGI agents is a challenge in itself and, arguably, a critical enabler to developing eAGI agents. In this paper, we address this challenge by proposing an extensible evaluation framework that specializes and grounds Bloom's taxonomy - a framework for evaluating human learning that has also been recently used for evaluating LLMs - in an engineering design context. Our proposed framework advances the state of the art in benchmarking and evaluation of AI agents in terms of the following: (a) developing a rich taxonomy of evaluation questions spanning from methodological knowledge to real-world design problems; (b) motivating a pluggable evaluation framework that can evaluate not only textual responses but also evaluate structured design artifacts such as CAD models and SysML models; and (c) outlining an automatable procedure to customize the evaluation benchmark to different engineering contexts.

Calibrating Uncertainty Quantification of Multi-Modal LLMs using Grounding

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.

Safety Monitoring for Learning-Enabled Cyber-Physical Systems in Out-of-Distribution Scenarios

The safety of learning-enabled cyber-physical systems is compromised by the well-known vulnerabilities of deep neural networks to out-of-distribution (OOD) inputs. Existing literature has sought to monitor the safety of such systems by detecting OOD data. However, such approaches have limited utility, as the presence of an OOD input does not necessarily imply the violation of a desired safety property. We instead propose to directly monitor safety in a manner that is itself robust to OOD data. To this end, we predict violations of signal temporal logic safety specifications based on predicted future trajectories. Our safety monitor additionally uses a novel combination of adaptive conformal prediction and incremental learning. The former obtains probabilistic prediction guarantees even on OOD data, and the latter prevents overly conservative predictions. We evaluate the efficacy of the proposed approach in two case studies on safety monitoring: 1) predicting collisions of an F1Tenth car with static obstacles, and 2) predicting collisions of a race car with multiple dynamic obstacles. We find that adaptive conformal prediction obtains theoretical guarantees where other uncertainty quantification methods fail to do so. Additionally, combining adaptive conformal prediction and incremental learning for safety monitoring achieves high recall and timeliness while reducing loss in precision. We achieve these results even in OOD settings and outperform alternative methods.

AGENT: An Aerial Vehicle Generation and Design Tool Using Large Language Models

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.

TeleLoRA: Teleporting Model-Specific Alignment Across LLMs

Mitigating Trojans in Large Language Models (LLMs) is one of many tasks where alignment data is LLM specific, as different LLMs have different Trojan triggers and trigger behaviors to be removed. In this paper, we introduce TeleLoRA (Teleporting Low-Rank Adaptation), a novel framework that synergizes model-specific alignment data across multiple LLMs to enable zero-shot Trojan mitigation on unseen LLMs without alignment data. TeleLoRA learns a unified generator of LoRA adapter weights by leveraging local activation information across multiple LLMs. This generator is designed to be permutation symmetric to generalize across models with different architectures and sizes. We optimize the model design for memory efficiency, making it feasible to learn with large-scale LLMs with minimal computational resources. Experiments on LLM Trojan mitigation benchmarks demonstrate that TeleLoRA effectively reduces attack success rates while preserving the benign performance of the models.

Shrinking POMCP: A Framework for Real-Time UAV Search and Rescue

Efficient path optimization for drones in search and rescue operations faces challenges, including limited visibility, time constraints, and complex information gathering in urban environments. We present a comprehensive approach to optimize UAV-based search and rescue operations in neighborhood areas, utilizing both a 3D AirSim-ROS2 simulator and a 2D simulator. The path planning problem is formulated as a partially observable Markov decision process (POMDP), and we propose a novel ``Shrinking POMCP'' approach to address time constraints. In the AirSim environment, we integrate our approach with a probabilistic world model for belief maintenance and a neurosymbolic navigator for obstacle avoidance. The 2D simulator employs surrogate ROS2 nodes with equivalent functionality. We compare trajectories generated by different approaches in the 2D simulator and evaluate performance across various belief types in the 3D AirSim-ROS simulator. Experimental results from both simulators demonstrate that our proposed shrinking POMCP solution achieves significant improvements in search times compared to alternative methods, showcasing its potential for enhancing the efficiency of UAV-assisted search and rescue operations.

Addressing Uncertainty in LLMs to Enhance Reliability in Generative AI

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.

Second-Order Forward-Mode Automatic Differentiation for Optimization

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.

Concept-based Analysis of Neural Networks via Vision-Language Models

The analysis of vision-based deep neural networks (DNNs) is highly desirable but it is very challenging due to the difficulty of expressing formal specifications for vision tasks and the lack of efficient verification procedures. In this paper, we propose to leverage emerging multimodal, vision-language, foundation models (VLMs) as a lens through which we can reason about vision models. VLMs have been trained on a large body of images accompanied by their textual description, and are thus implicitly aware of high-level, human-understandable concepts describing the images. We describe a logical specification language $\texttt{Con}_{\texttt{spec}}$ designed to facilitate writing specifications in terms of these concepts. To define and formally check $\texttt{Con}_{\texttt{spec}}$ specifications, we build a map between the internal representations of a given vision model and a VLM, leading to an efficient verification procedure of natural-language properties for vision models. We demonstrate our techniques on a ResNet-based classifier trained on the RIVAL-10 dataset using CLIP as the multimodal model.