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The problem of constructing a dataset for MLIP development which gives the maximum quality in the minimum amount of compute time is complex, and can be approached in a number of ways. We introduce a ``Bayesian selection" approach for…
With the advent of standards for deterministic network behavior, synthesizing network designs under delay constraints becomes the natural next task to tackle. Network Calculus (NC) has become a key method for validating industrial networks,…
Autonomous robotic systems require advanced control frameworks to achieve complex temporal objectives that extend beyond conventional stability and trajectory tracking. Signal Temporal Logic (STL) provides a formal framework for specifying…
Automatic synthesis of hardware components from declarative specifications is an ambitious endeavor in computer aided design. Existing synthesis algorithms are often implemented with Binary Decision Diagrams (BDDs), inheriting their…
Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…
Given the wide range of deployment targets, flexible model selection is essential for optimizing performance within a given compute budget. Recent work demonstrates that stitching pretrained models within a model family enables…
Self-supervised feature reconstruction methods have shown promising advances in industrial image anomaly detection and localization. Despite this progress, these methods still face challenges in synthesizing realistic and diverse anomaly…
Gene regulatory networks can be successfully modeled as Boolean networks. A much discussed hypothesis says that such model networks reproduce empirical findings the best if they are tuned to operate at criticality, i.e. at the borderline…
For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to…
Optimising the quality-of-results (QoR) of circuits during logic synthesis is a formidable challenge necessitating the exploration of exponentially sized search spaces. While expert-designed operations aid in uncovering effective sequences,…
We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP) -- the problem of identifying the stable crystal structures that will form from a given molecule based only on its molecular composition. Our…
In current chip design processes, using multiple tools to obtain a gate-level netlist often results in the loss of source code correlation. SynAlign addresses this challenge by automating the alignment process, simplifying iterative design,…
The rapid growth of the size and complexity in deep neural networks has sharply increased computational demands, challenging their efficient deployment in real-world scenarios. Boolean networks, constructed with logic gates, offer a…
Structural search and feature extraction are a central subject in modern materials design, the efficiency of which is currently limited, but can be potentially boosted by machine learning (ML). Here, we develop an ML-based…
Network representations can help reveal the behavior of complex systems. Useful information can be derived from the network properties and invariants, such as components, clusters or cliques, as well as from their changes over time. The…
MC networks are envisioned to enable synthetic information exchange between nanoscale biological entities. For many algorithm proposals in the MC research field, the question of implementation at nanoscales and in biological environments…
Computerized Adaptive Testing (CAT) is a widely used technology for evaluating learners' proficiency in online education platforms. By leveraging prior estimates of proficiency to select questions and updating the estimates iteratively…
The generation of protein crystals is necessary for the study of protein molecular function and structure. This is done empirically by processing large numbers of crystallization trials and inspecting them regularly in search of those with…
Sparse deep neural networks have proven to be efficient for predictive model building in large-scale studies. Although several works have studied theoretical and numerical properties of sparse neural architectures, they have primarily…
Assessing the synthesizability of inorganic materials is a grand challenge for accelerating their discovery using computations. Synthesis of a material is a complex process that depends not only on its thermodynamic stability with respect…