On the Dataless Training of Neural Networks

This paper surveys studies on the use of neural networks for optimization in the training-data-free setting. Specifically, we examine the dataless application of neural network architectures in optimization by re-parameterizing problems using fully connected (or MLP), convolutional, graph, and quadratic neural networks. Although MLPs have been used to solve linear programs a few decades ago, this approach has recently gained increasing attention due to its promising results across diverse applications, including those based on combinatorial optimization, inverse problems, and partial differential equations. The motivation for this setting stems from two key (possibly over-lapping) factors: (i) data-driven learning approaches are still underdeveloped and have yet to demonstrate strong results, as seen in combinatorial optimization, and (ii) the availability of training data is inherently limited, such as in medical image reconstruction and other scientific applications. In this paper, we define the dataless setting and categorize it into two variants based on how a problem instance -- defined by a single datum -- is encoded onto the neural network: (i) architecture-agnostic methods and (ii) architecture-specific methods. Additionally, we discuss similarities and clarify distinctions between the dataless neural network (dNN) settings and related concepts such as zero-shot learning, one-shot learning, lifting in optimization, and over-parameterization.

Polysemantic Dropout: Conformal OOD Detection for Specialized LLMs

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.

Scalable Bayesian Low-Rank Adaptation of Large Language Models via Stochastic Variational Subspace Inference

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.

TOGA: Temporally Grounded Open-Ended Video QA with Weak Supervision

We address the problem of video question answering (video QA) with temporal grounding in a weakly supervised setup, without any temporal annotations. Given a video and a question, we generate an open-ended answer grounded with the start and end time. For this task, we propose TOGA: a vision-language model for Temporally Grounded Open-Ended Video QA with Weak Supervision. We instruct-tune TOGA to jointly generate the answer and the temporal grounding. We operate in a weakly supervised setup where the temporal grounding annotations are not available. We generate pseudo labels for temporal grounding and ensure the validity of these labels by imposing a consistency constraint between the question of a grounding response and the response generated by a question referring to the same temporal segment. We notice that jointly generating the answers with the grounding improves performance on question answering as well as grounding. We evaluate TOGA on grounded QA and open-ended QA tasks. For grounded QA, we consider the NExT-GQA benchmark which is designed to evaluate weakly supervised grounded question answering. For open-ended QA, we consider the MSVD-QA and ActivityNet-QA benchmarks. We achieve state-of-the-art performance for both tasks on these benchmarks.

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.