Inspired by the common practice, He et al.

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support the materials science community by providing a practical, data-driven resource. We have curated a comprehensive dataset of 17K expert-verified synthesis recipes from open-access literature, which forms the basis of our newly developed benchmark, AlchemyBench. AlchemyBench offers an end-to-end framework that supports research in large language models applied to synthesis prediction. It encompasses key tasks, including raw materials and equipment prediction, synthesis procedure generation, and characterization outcome forecasting. We propose an LLM-as-a-Judge framework that leverages large language models for automated evaluation, demonstrating strong statistical agreement with expert assessments. Overall, our contributions offer a supportive foundation for exploring the capabilities of LLMs in predicting and guiding materials synthesis, ultimately paving the way for more efficient experimental design and accelerated innovation in materials science.

While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to organic retrosynthesis planning. In this paper, we propose Retrieval-Retro for inorganic retrosynthesis planning, which implicitly extracts the precursor information of reference materials that are retrieved from the knowledge base regarding domain expertise in the field. Specifically, instead of directly employing the precursor information of reference materials, we propose implicitly extracting it with various attention layers, which enables the model to learn novel synthesis recipes more effectively. Moreover, during retrieval, we consider the thermodynamic relationship between target material and precursors, which is essential domain expertise in identifying the most probable precursor set among various options. Extensive experiments demonstrate the superiority of Retrieval-Retro in retrosynthesis planning, especially in discovering novel synthesis recipes, which is crucial for materials discovery. The source code for Retrieval-Retro is available at https://github.com/HeewoongNoh/Retrieval-Retro.

Electronic Design Automation (EDA) is essential for IC design and has recently benefited from AI-based techniques to improve efficiency. Logic synthesis, a key EDA stage, transforms high-level hardware descriptions into optimized netlists. Recent research has employed machine learning to predict Quality of Results (QoR) for pairs of And-Inverter Graphs (AIGs) and synthesis recipes. However, the severe scarcity of data due to a very limited number of available AIGs results in overfitting, significantly hindering performance. Additionally, the complexity and large number of nodes in AIGs make plain GNNs less effective for learning expressive graph-level representations. To tackle these challenges, we propose MTLSO - a Multi-Task Learning approach for Logic Synthesis Optimization. On one hand, it maximizes the use of limited data by training the model across different tasks. This includes introducing an auxiliary task of binary multi-label graph classification alongside the primary regression task, allowing the model to benefit from diverse supervision sources. On the other hand, we employ a hierarchical graph representation learning strategy to improve the model's capacity for learning expressive graph-level representations of large AIGs, surpassing traditional plain GNNs. Extensive experiments across multiple datasets and against state-of-the-art baselines demonstrate the superiority of our method, achieving an average performance gain of 8.22\% for delay and 5.95\% for area.

Power side-channel (PSC) analysis is pivotal for securing cryptographic hardware. Prior art focused on securing gate-level netlists obtained as-is from chip design automation, neglecting all the complexities and potential side-effects for security arising from the design automation process. That is, automation traditionally prioritizes power, performance, and area (PPA), sidelining security. We propose a "security-first" approach, refining the logic synthesis stage to enhance the overall resilience of PSC countermeasures. We introduce ASCENT, a learning-and-search-based framework that (i) drastically reduces the time for post-design PSC evaluation and (ii) explores the security-vs-PPA design space. Thus, ASCENT enables an efficient exploration of a large number of candidate netlists, leading to an improvement in PSC resilience compared to regular PPA-optimized netlists. ASCENT is up to 120x faster than traditional PSC analysis and yields a 3.11x improvement for PSC resilience of state-of-the-art PSC countermeasures

Logic synthesis, a pivotal stage in chip design, entails optimizing chip specifications encoded in hardware description languages like Verilog into highly efficient implementations using Boolean logic gates. The process involves a sequential application of logic minimization heuristics ("synthesis recipe"), with their arrangement significantly impacting crucial metrics such as area and delay. Addressing the challenge posed by the broad spectrum of design complexities -- from variations of past designs (e.g., adders and multipliers) to entirely novel configurations (e.g., innovative processor instructions) -- requires a nuanced'synthesis recipe' guided by human expertise and intuition. This study conducts a thorough examination of learning and search techniques for logic synthesis, unearthing a surprising revelation: pre-trained agents, when confronted with entirely novel designs, may veer off course, detrimentally affecting the search trajectory. We present ABC-RL, a meticulously tuned α parameter that adeptly adjusts recommendations from pre-trained agents during the search process. Computed based on similarity scores through nearest neighbor retrieval from the training dataset, ABC-RL yields superior synthesis recipes tailored for a wide array of hardware designs. Our findings showcase substantial enhancements in the Quality-of-result (QoR) of synthesized circuits, boasting improvements of up to 24.8% compared to state-of-the-art techniques. Furthermore, ABC-RL achieves an impressive up to 9x reduction in runtime (iso-QoR) when compared to current state-of-the-art methodologies. Modern chips are designed using sophisticated electronic design automation (EDA) algorithms that automatically convert logic functions expressed in a hardware description language (HDL) like Verilog to a physical layout that can be manufactured at a semiconductor foundry. EDA involves a sequence of steps, the first of which is logic synthesis. Logic synthesis converts HDL into a low-level "netlist" of Boolean logic gates that implement the desired function. A netlist is a graph whose nodes are logic gates (e.g., ANDs, NOTs, ORs) and whose edges represent connections between gates.

Despite the growing interest in ML-guided EDA tools from RTL to GDSII, there are no standard datasets or prototypical learning tasks defined for the EDA problem domain. Experience from the computer vision community suggests that such datasets are crucial to spur further progress in ML for EDA. Here we describe our experience curating two large-scale, high-quality datasets for Verilog code generation and logic synthesis. The first, VeriGen, is a dataset of Verilog code collected from GitHub and Verilog textbooks. The second, OpenABC-D, is a large-scale, labeled dataset designed to aid ML for logic synthesis tasks. The dataset consists of 870,000 And-Inverter-Graphs (AIGs) produced from 1500 synthesis runs on a large number of open-source hardware projects. In this paper we will discuss challenges in curating, maintaining and growing the size and scale of these datasets. We will also touch upon questions of dataset quality and security, and the use of novel data augmentation tools that are tailored for the hardware domain.

Logic synthesis is the first and most vital step in chip design. This steps converts a chip specification written in a hardware description language (such as Verilog) into an optimized implementation using Boolean logic gates. State-of-the-art logic synthesis algorithms have a large number of logic minimization heuristics, typically applied sequentially based on human experience and intuition. The choice of the order greatly impacts the quality (e.g., area and delay) of the synthesized circuit. In this paper, we propose INVICTUS, a model-based offline reinforcement learning (RL) solution that automatically generates a sequence of logic minimization heuristics ("synthesis recipe") based on a training dataset of previously seen designs. A key challenge is that new designs can range from being very similar to past designs (e.g., adders and multipliers) to being completely novel (e.g., new processor instructions). %Compared to prior work, INVICTUS is the first solution that uses a mix of RL and search methods joint with an online out-of-distribution detector to generate synthesis recipes over a wide range of benchmarks. Our results demonstrate significant improvement in area-delay product (ADP) of synthesized circuits with up to 30\% improvement over state-of-the-art techniques. Moreover, INVICTUS achieves up to $6.3\times$ runtime reduction (iso-ADP) compared to the state-of-the-art.

Oracle-less machine learning (ML) attacks have broken various logic locking schemes. Regular synthesis, which is tailored for area-power-delay optimization, yields netlists where key-gate localities are vulnerable to learning. Thus, we call for security-aware logic synthesis. We propose ALMOST, a framework for adversarial learning to mitigate oracle-less ML attacks via synthesis tuning. ALMOST uses a simulated-annealing-based synthesis recipe generator, employing adversarially trained models that can predict state-of-the-art attacks' accuracies over wide ranges of recipes and key-gate localities. Experiments on ISCAS benchmarks confirm the attacks' accuracies drops to around 50\% for ALMOST-synthesized circuits, all while not undermining design optimization.