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Diffusion models (DMs) have recently shown outstanding capability in modeling complex image distributions, making them expressive image priors for solving Bayesian inverse problems. However, most existing DM-based methods rely on approximations in the generative process to be generic to different inverse problems, leading to inaccurate sample distributions that deviate from the target posterior defined within the Bayesian framework. To harness the generative power of DMs while avoiding such approximations, we propose a Markov chain Monte Carlo algorithm that performs posterior sampling for general inverse problems by reducing it to sampling the posterior of a Gaussian denoising problem. Crucially, we leverage a general DM formulation as a unified interface that allows for rigorously solving the denoising problem with a range of state-of-the-art DMs. We demonstrate the effectiveness of the proposed method on six inverse problems (three linear and three nonlinear), including a real-world black hole imaging problem. Experimental results indicate that our proposed method offers more accurate reconstructions and posterior estimation compared to existing DM-based imaging inverse methods.

Recent work on intracranial brain-machine interfaces has demonstrated that spoken speech can be decoded with high accuracy, essentially by treating the problem as an instance of supervised learning and training deep neural networks to map from neural activity to text. However, such networks pay for their expressiveness with very large numbers of labeled data, a requirement that is particularly burdensome for invasive neural recordings acquired from human patients. On the other hand, these patients typically produce speech outside of the experimental blocks used for training decoders. Making use of such data, and data from other patients, to improve decoding would ease the burden of data collection -- especially onerous for dys- and anarthric patients. Here we demonstrate that this is possible, by reengineering wav2vec -- a simple, self-supervised, fully convolutional model that learns latent representations of audio using a noise-contrastive loss -- for electrocorticographic (ECoG) data. We train this model on unlabelled ECoG recordings, and subsequently use it to transform ECoG from labeled speech sessions into wav2vec's representation space, before finally training a supervised encoder-decoder to map these representations to text. We experiment with various numbers of labeled blocks; for almost all choices, the new representations yield superior decoding performance to the original ECoG data, and in no cases do they yield worse. Performance can also be improved in some cases by pretraining wav2vec on another patient's data. In the best cases, wav2vec's representations decrease word error rates over the original data by upwards of 50%.

Verifying safety of neural network control systems that use images as input is a difficult problem because, from a given system state, there is no known way to mathematically model what images are possible in the real-world. We build on recent work that considers a surrogate verification approach, training a conditional generative adversarial network (cGAN) as an image generator in place of the real world. This enables set-based formal analysis of the closed-loop system, providing analysis beyond simulation and testing. While existing work is effective on small examples, excessive overapproximation both within a single control period and across multiple control periods limits its scalability. We propose approaches to overcome these two sources of error. First, we overcome one-step error by composing the system's dynamics along with the cGAN and neural network controller, without losing the dependencies between input states and the control outputs as in the monotonic analysis of the system dynamics. Second, we reduce multi-step error by repeating the single-step composition, essentially unrolling multiple steps of the control loop into a large neural network. We then leverage existing network verification tools to compute accurate reachable sets for multiple steps, avoiding the accumulation of abstraction error at each step. We demonstrate the effectiveness of our approach in terms of both accuracy and scalability using two case studies: an autonomous aircraft taxiing system and an advanced emergency braking system. On the aircraft taxiing system, the converged reachable set is 175% larger using the prior baseline method compared with our proposed approach. On the emergency braking system, with 24x the number of image output variables from the cGAN, the baseline method fails to prove any states are safe, whereas our improvements enable set-based safety analysis.

Automated driving systems are an integral part of the automotive industry. Tools such as Robot Operating System and simulators support their development. However, in the end, the developers must test their algorithms on a real vehicle. To better observe the difference between reality and simulation--the reality gap--digital twin technology offers real-time communication between the real vehicle and its model. We present low fidelity digital twin generator and describe situations where automatic generation is preferable to high fidelity simulation. We validated our approach of generating a virtual environment with a vehicle model by replaying the data recorded from the real vehicle.

Offline model-based optimization (MBO) aims to maximize a black-box objective function using only an offline dataset of designs and scores. A prevalent approach involves training a conditional generative model on existing designs and their associated scores, followed by the generation of new designs conditioned on higher target scores. However, these newly generated designs often underperform due to the lack of high-scoring training data. To address this challenge, we introduce a novel method, Design Editing for Offline Model-based Optimization (DEMO), which consists of two phases. In the first phase, termed pseudo-target distribution generation, we apply gradient ascent on the offline dataset using a trained surrogate model, producing a synthetic dataset where the predicted scores serve as new labels. A conditional diffusion model is subsequently trained on this synthetic dataset to capture a pseudo-target distribution, which enhances the accuracy of the conditional diffusion model in generating higher-scoring designs. Nevertheless, the pseudo-target distribution is susceptible to noise stemming from inaccuracies in the surrogate model, consequently predisposing the conditional diffusion model to generate suboptimal designs. We hence propose the second phase, existing design editing, to directly incorporate the high-scoring features from the offline dataset into design generation. In this phase, top designs from the offline dataset are edited by introducing noise, which are subsequently refined using the conditional diffusion model to produce high-scoring designs. Overall, high-scoring designs begin with inheriting high-scoring features from the second phase and are further refined with a more accurate conditional diffusion model in the first phase. Empirical evaluations on 7 offline MBO tasks show that DEMO outperforms various baseline methods.

The verification throughput is becoming a major challenge bottleneck, since the complexity and size of SoC designs are still ever increasing. Simply adding more CPU cores and running more tests in parallel will not scale anymore. This paper discusses various methods of improving verification throughput: ranking and the new machine learning (ML) based technology introduced by Cadence i.e. Xcelium ML. Both methods aim at getting comparable coverage in less CPU time by applying more efficient stimulus. Ranking selects specific seeds that simply turned out to come up with the largest coverage in previous simulations, while Xcelium ML generates optimized patterns as a result of finding correlations between randomization points and achieved coverage of previous regressions. Quantified results as well as pros & cons of each approach are discussed in this paper at the example of three actual industry projects. Both Xcelium ML and Ranking methods gave comparable compression & speedup factors around 3 consistently. But the optimized ML based regressions simulated new random scenarios occasionally producing a coverage regain of more than 100%. Finally, a methodology is proposed to use Xcelium ML efficiently throughout the product development.

Given the increasing complexity of AI applications, traditional spatial architectures frequently fall short. Our analysis identifies a pattern of interconnected, multi-faceted tasks encompassing both AI and general computational processes. In response, we have conceptualized "Orchestrated AI Workflows," an approach that integrates various tasks with logic-driven decisions into dynamic, sophisticated workflows. Specifically, we find that the intrinsic Dual Dynamicity of Orchestrated AI Workflows, namely dynamic execution times and frequencies of Task Blocks, can be effectively represented using the Orchestrated Workflow Graph. Furthermore, the intrinsic Dual Dynamicity poses challenges to existing spatial architecture, namely Indiscriminate Resource Allocation, Reactive Load Rebalancing, and Contagious PEA Idleness. To overcome these challenges, we present Octopus, a scale-out spatial architecture and a suite of advanced scheduling strategies optimized for executing Orchestrated AI Workflows, such as the Discriminate Dual-Scheduling Mechanism, Adaptive TBU Scheduling Strategy, and Proactive Cluster Scheduling Strategy. Our evaluations demonstrate that Octopus significantly outperforms traditional architectures in handling the dynamic demands of Orchestrated AI Workflows, and possesses robust scalability in large scale hardware such as wafer-scale chip.

Agent-based modeling and simulation has evolved as a powerful tool for modeling complex systems, offering insights into emergent behaviors and interactions among diverse agents. Integrating large language models into agent-based modeling and simulation presents a promising avenue for enhancing simulation capabilities. This paper surveys the landscape of utilizing large language models in agent-based modeling and simulation, examining their challenges and promising future directions. In this survey, since this is an interdisciplinary field, we first introduce the background of agent-based modeling and simulation and large language model-empowered agents. We then discuss the motivation for applying large language models to agent-based simulation and systematically analyze the challenges in environment perception, human alignment, action generation, and evaluation. Most importantly, we provide a comprehensive overview of the recent works of large language model-empowered agent-based modeling and simulation in multiple scenarios, which can be divided into four domains: cyber, physical, social, and hybrid, covering simulation of both real-world and virtual environments. Finally, since this area is new and quickly evolving, we discuss the open problems and promising future directions.

Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.

The recent proliferation of knowledge graphs (KGs) coupled with incomplete or partial information, in the form of missing relations (links) between entities, has fueled a lot of research on knowledge base completion (also known as relation prediction). Several recent works suggest that convolutional neural network (CNN) based models generate richer and more expressive feature embeddings and hence also perform well on relation prediction. However, we observe that these KG embeddings treat triples independently and thus fail to cover the complex and hidden information that is inherently implicit in the local neighborhood surrounding a triple. To this effect, our paper proposes a novel attention based feature embedding that captures both entity and relation features in any given entity's neighborhood. Additionally, we also encapsulate relation clusters and multihop relations in our model. Our empirical study offers insights into the efficacy of our attention based model and we show marked performance gains in comparison to state of the art methods on all datasets.