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Generative Flow Networks (GFlowNets or GFNs) are probabilistic models predicated on Markov flows, and they employ specific amortization algorithms to learn stochastic policies that generate compositional substances including biomolecules, chemical materials, etc. With a strong ability to generate high-performance biochemical molecules, GFNs accelerate the discovery of scientific substances, effectively overcoming the time-consuming, labor-intensive, and costly shortcomings of conventional material discovery methods. However, previous studies rarely focus on accumulating exploratory experience by adjusting generative structures, which leads to disorientation in complex sampling spaces. Efforts to address this issue, such as LS-GFN, are limited to local greedy searches and lack broader global adjustments. This paper introduces a novel variant of GFNs, the Dynamic Backtracking GFN (DB-GFN), which improves the adaptability of decision-making steps through a reward-based dynamic backtracking mechanism. DB-GFN allows backtracking during the network construction process according to the current state's reward value, thereby correcting disadvantageous decisions and exploring alternative pathways during the exploration process. When applied to generative tasks involving biochemical molecules and genetic material sequences, DB-GFN outperforms GFN models such as LS-GFN and GTB, as well as traditional reinforcement learning methods, in sample quality, sample exploration quantity, and training convergence speed. Additionally, owing to its orthogonal nature, DB-GFN shows great potential in future improvements of GFNs, and it can be integrated with other strategies to achieve higher search performance.

Large Language Models (LLMs) have highlighted the necessity of effective unlearning mechanisms to comply with data regulations and ethical AI practices. LLM unlearning aims at removing undesired data influences and associated model capabilities without compromising utility out of the scope of unlearning. While interest in studying LLM unlearning is growing,the impact of the optimizer choice for LLM unlearning remains under-explored. In this work, we shed light on the significance of optimizer selection in LLM unlearning for the first time, establishing a clear connection between {second-order optimization} and influence unlearning (a classical approach using influence functions to update the model for data influence removal). This insight propels us to develop a second-order unlearning framework, termed SOUL, built upon the second-order clipped stochastic optimization (Sophia)-based LLM training method. SOUL extends the static, one-shot model update using influence unlearning to a dynamic, iterative unlearning process. Our extensive experiments show that SOUL consistently outperforms conventional first-order methods across various unlearning tasks, models, and metrics, suggesting the promise of second-order optimization in providing a scalable and easily implementable solution for LLM unlearning.

Guessing random additive noise decoding (GRAND) has received widespread attention recently, and among its variants, ordered reliability bits GRAND (ORBGRAND) is particularly attractive due to its efficient utilization of soft information and its amenability to hardware implementation. It has been recently shown that ORBGRAND is almost capacity-achieving in additive white Gaussian noise channels under antipodal input. In this work, we first extend the analysis of ORBGRAND achievable rate to memoryless binary-input bit channels with general output conditional probability distributions. The analytical result also sheds insight into understanding the gap between the ORBGRAND achievable rate and the channel mutual information. As an application of the analysis, we study the ORBGRAND achievable rate of bit-interleaved coded modulation (BICM). Numerical results indicate that for BICM, the gap between the ORBGRAND achievable rate and the channel mutual information is typically small, and hence suggest the feasibility of ORBGRAND for channels with high-order coded modulation schemes.

Graph Neural Networks (GNNs) are emerging as a formidable tool for processing non-euclidean data across various domains, ranging from social network analysis to bioinformatics. Despite their effectiveness, their adoption has not been pervasive because of scalability challenges associated with large-scale graph datasets, particularly when leveraging message passing. To tackle these challenges, we introduce NeuraChip, a novel GNN spatial accelerator based on Gustavson's algorithm. NeuraChip decouples the multiplication and addition computations in sparse matrix multiplication. This separation allows for independent exploitation of their unique data dependencies, facilitating efficient resource allocation. We introduce a rolling eviction strategy to mitigate data idling in on-chip memory as well as address the prevalent issue of memory bloat in sparse graph computations. Furthermore, the compute resource load balancing is achieved through a dynamic reseeding hash-based mapping, ensuring uniform utilization of computing resources agnostic of sparsity patterns. Finally, we present NeuraSim, an open-source, cycle-accurate, multi-threaded, modular simulator for comprehensive performance analysis. Overall, NeuraChip presents a significant improvement, yielding an average speedup of 22.1x over Intel's MKL, 17.1x over NVIDIA's cuSPARSE, 16.7x over AMD's hipSPARSE, and 1.5x over prior state-of-the-art SpGEMM accelerator and 1.3x over GNN accelerator. The source code for our open-sourced simulator and performance visualizer is publicly accessible on GitHub //neurachip.us

Generative Adversarial Network (GAN) based vocoders are superior in both inference speed and synthesis quality when reconstructing an audible waveform from an acoustic representation. This study focuses on improving the discriminator for GAN-based vocoders. Most existing Time-Frequency Representation (TFR)-based discriminators are rooted in Short-Time Fourier Transform (STFT), which owns a constant Time-Frequency (TF) resolution, linearly scaled center frequencies, and a fixed decomposition basis, making it incompatible with signals like singing voices that require dynamic attention for different frequency bands and different time intervals. Motivated by that, we propose a Multi-Scale Sub-Band Constant-Q Transform CQT (MS-SB-CQT) discriminator and a Multi-Scale Temporal-Compressed Continuous Wavelet Transform CWT (MS-TC-CWT) discriminator. Both CQT and CWT have a dynamic TF resolution for different frequency bands. In contrast, CQT has a better modeling ability in pitch information, and CWT has a better modeling ability in short-time transients. Experiments conducted on both speech and singing voices confirm the effectiveness of our proposed discriminators. Moreover, the STFT, CQT, and CWT-based discriminators can be used jointly for better performance. The proposed discriminators can boost the synthesis quality of various state-of-the-art GAN-based vocoders, including HiFi-GAN, BigVGAN, and APNet.

When faced with accomplishing a task, human experts exhibit intentional behavior. Their unique intents shape their plans and decisions, resulting in experts demonstrating diverse behaviors to accomplish the same task. Due to the uncertainties encountered in the real world and their bounded rationality, experts sometimes adjust their intents, which in turn influences their behaviors during task execution. This paper introduces IDIL, a novel imitation learning algorithm to mimic these diverse intent-driven behaviors of experts. Iteratively, our approach estimates expert intent from heterogeneous demonstrations and then uses it to learn an intent-aware model of their behavior. Unlike contemporary approaches, IDIL is capable of addressing sequential tasks with high-dimensional state representations, while sidestepping the complexities and drawbacks associated with adversarial training (a mainstay of related techniques). Our empirical results suggest that the models generated by IDIL either match or surpass those produced by recent imitation learning benchmarks in metrics of task performance. Moreover, as it creates a generative model, IDIL demonstrates superior performance in intent inference metrics, crucial for human-agent interactions, and aptly captures a broad spectrum of expert behaviors.

Recently, fiber optic sensors such as fiber Bragg gratings (FBGs) have been widely investigated for shape reconstruction and force estimation of flexible surgical robots. However, most existing approaches need precise model parameters of FBGs inside the fiber and their alignments with the flexible robots for accurate sensing results. Another challenge lies in online acquiring external forces at arbitrary locations along the flexible robots, which is highly required when with large deflections in robotic surgery. In this paper, we propose a novel data-driven paradigm for simultaneous estimation of shape and force along highly deformable flexible robots by using sparse strain measurement from a single-core FBG fiber. A thin-walled soft sensing tube helically embedded with FBG sensors is designed for a robotic-assisted flexible ureteroscope with large deflection up to 270 degrees and a bend radius under 10 mm. We introduce and study three learning models by incorporating spatial strain encoders, and compare their performances in both free space and constrained environments with contact forces at different locations. The experimental results in terms of dynamic shape-force sensing accuracy demonstrate the effectiveness and superiority of the proposed methods.

Graph Neural Networks (GNNs) have gained significant attention owing to their ability to handle graph-structured data and the improvement in practical applications. However, many of these models prioritize high utility performance, such as accuracy, with a lack of privacy consideration, which is a major concern in modern society where privacy attacks are rampant. To address this issue, researchers have started to develop privacy-preserving GNNs. Despite this progress, there is a lack of a comprehensive overview of the attacks and the techniques for preserving privacy in the graph domain. In this survey, we aim to address this gap by summarizing the attacks on graph data according to the targeted information, categorizing the privacy preservation techniques in GNNs, and reviewing the datasets and applications that could be used for analyzing/solving privacy issues in GNNs. We also outline potential directions for future research in order to build better privacy-preserving GNNs.

Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.