Artificial Intelligence/Machine Learning field is getting a lot of attention right now, and knowing where to start can be a little difficult. I've been dabbling in this field, so I thought of curating the best resources in one place. All of these are curated based on if it's an inspiring read or a valuable resource. I hope this curated list help you get started on what you need to know about AI/Machine Learning on a technical level. Design intelligent agents to solve real-world problems including, search, games, machine learning, logic, and constraint satisfaction problems.
Crystal-structure phase mapping is a core, long-standing challenge in materials science that requires identifying crystal structures, or mixtures thereof, in synthesized materials. Materials science experts excel at solving simple systems but cannot solve complex systems, creating a major bottleneck in high-throughput materials discovery. Herein we show how to automate crystal-structure phase mapping. We formulate phase mapping as an unsupervised pattern demixing problem and describe how to solve it using Deep Reasoning Networks (DRNets). DRNets combine deep learning with constraint reasoning for incorporating scientific prior knowledge and consequently require only a modest amount of (unlabeled) data. DRNets compensate for the limited data by exploiting and magnifying the rich prior knowledge about the thermodynamic rules governing the mixtures of crystals with constraint reasoning seamlessly integrated into neural network optimization. DRNets are designed with an interpretable latent space for encoding prior-knowledge domain constraints and seamlessly integrate constraint reasoning into neural network optimization. DRNets surpass previous approaches on crystal-structure phase mapping, unraveling the Bi-Cu-V oxide phase diagram, and aiding the discovery of solar-fuels materials.
Recent systems applying Machine Learning (ML) to solve the Traveling Salesman Problem (TSP) exhibit issues when they try to scale up to real case scenarios with several hundred vertices. The use of Candidate Lists (CLs) has been brought up to cope with the issues. The procedure allows to restrict the search space during solution creation, consequently reducing the solver computational burden. So far, ML were engaged to create CLs and values on the edges of these CLs expressing ML preferences at solution insertion. Although promising, these systems do not clearly restrict what the ML learns and does to create solutions, bringing with them some generalization issues. Therefore, motivated by exploratory and statistical studies, in this work we instead use a machine learning model to confirm the addition in the solution just for high probable edges. CLs of the high probable edge are employed as input, and the ML is in charge of distinguishing cases where such edges are in the optimal solution from those where they are not. . This strategy enables a better generalization and creates an efficient balance between machine learning and searching techniques. Our ML-Constructive heuristic is trained on small instances. Then, it is able to produce solutions, without losing quality, to large problems as well. We compare our results with classic constructive heuristics, showing good performances for TSPLIB instances up to 1748 cities. Although our heuristic exhibits an expensive constant time operation, we proved that the computational complexity in worst-case scenario, for the solution construction after training, is $O(n^2 \log n^2)$, being $n$ the number of vertices in the TSP instance.
We present a new multi-objective optimization approach for synthesizing interpretations that "explain" the behavior of black-box machine learning models. Constructing human-understandable interpretations for black-box models often requires balancing conflicting objectives. A simple interpretation may be easier to understand for humans while being less precise in its predictions vis-a-vis a complex interpretation. Existing methods for synthesizing interpretations use a single objective function and are often optimized for a single class of interpretations. In contrast, we provide a more general and multi-objective synthesis framework that allows users to choose (1) the class of syntactic templates from which an interpretation should be synthesized, and (2) quantitative measures on both the correctness and explainability of an interpretation. For a given black-box, our approach yields a set of Pareto-optimal interpretations with respect to the correctness and explainability measures. We show that the underlying multi-objective optimization problem can be solved via a reduction to quantitative constraint solving, such as weighted maximum satisfiability. To demonstrate the benefits of our approach, we have applied it to synthesize interpretations for black-box neural-network classifiers. Our experiments show that there often exists a rich and varied set of choices for interpretations that are missed by existing approaches.
We propose a novel concise function representation for graphical models, a central theoretical framework that provides the basis for many reasoning tasks. We then show how we exploit our concise representation based on deterministic finite state automata within Bucket Elimination (BE), a general approach based on the concept of variable elimination that accommodates many inference and optimisation tasks such as most probable explanation and constrained optimisation. We denote our version of BE as FABE. By using our concise representation within FABE, we dramatically improve the performance of BE in terms of runtime and memory requirements. Results on standard benchmarks obtained using an established experimental methodology show that FABE often outperforms the best available approach (RBFAOO), leading to significant runtime improvements (up to 2 orders of magnitude in our tests).
This thesis explores the benefits machine learning algorithms can bring to online planning and scheduling for autonomous vehicles in off-road situations. Mainly, we focus on typical problems of interest which include computing itineraries that meet certain objectives, as well as computing scheduling strategies to execute synchronized maneuvers with other vehicles. We present a range of learning-based heuristics to assist different itinerary planners. We show that these heuristics allow a significant increase in performance for optimal planners. Furthermore, in the case of approximate planning, we show that not only does the running time decrease, the quality of the itinerary found also becomes almost always better. Finally, in order to synthesize strategies to execute synchronized maneuvers, we propose a novel type of scheduling controllability and a learning-assisted algorithm. The proposed framework achieves significant improvement on known benchmarks in this controllability type over the performance of state-of-the-art works in a related controllability type. Moreover, it is able to find strategies on complex scheduling problems for which previous works fail to do so.
Learning-based methods are increasingly popular for search algorithms in single-criterion optimization problems. In contrast, for multiple-criteria optimization there are significantly fewer approaches despite the existence of numerous applications. Constrained path-planning for Autonomous Ground Vehicles (AGV) is one such application, where an AGV is typically deployed in disaster relief or search and rescue applications in off-road environments. The agent can be faced with the following dilemma : optimize a source-destination path according to a known criterion and an uncertain criterion under operational constraints. The known criterion is associated to the cost of the path, representing the distance. The uncertain criterion represents the feasibility of driving through the path without requiring human intervention. It depends on various external parameters such as the physics of the vehicle, the state of the explored terrains or weather conditions. In this work, we leverage knowledge acquired through offline simulations by training a neural network model to predict the uncertain criterion. We integrate this model inside a path-planner which can solve problems online. Finally, we conduct experiments on realistic AGV scenarios which illustrate that the proposed framework requires human intervention less frequently, trading for a limited increase in the path distance.
In this paper we present a technique for procedurally generating 3D maps using a set of premade meshes which snap together based on designer-specified visual constraints. The proposed approach avoids size and layout limitations, offering the designer control over the look and feel of the generated maps, as well as immediate feedback on a given map's navigability. A prototype implementation of the method, developed in the Unity game engine, is discussed, and a number of case studies are analyzed. These include a multiplayer game where the method was used, together with a number of illustrative examples which highlight various parameterizations and generation methods. We argue that the technique is designer-friendly and can be used as a map composition method and/or as a prototyping system in 3D level design, opening the door for quality map and level creation in a fraction of the time of a fully human-based approach.
The problem of selecting an algorithm that appears most suitable for a specific instance of an algorithmic problem class, such as the Boolean satisfiability problem, is called instance-specific algorithm selection. Over the past decade, the problem has received considerable attention, resulting in a number of different methods for algorithm selection. Although most of these methods are based on machine learning, surprisingly little work has been done on meta learning, that is, on taking advantage of the complementarity of existing algorithm selection methods in order to combine them into a single superior algorithm selector. In this paper, we introduce the problem of meta algorithm selection, which essentially asks for the best way to combine a given set of algorithm selectors. We present a general methodological framework for meta algorithm selection as well as several concrete learning methods as instantiations of this framework, essentially combining ideas of meta learning and ensemble learning. In an extensive experimental evaluation, we demonstrate that ensembles of algorithm selectors can significantly outperform single algorithm selectors and have the potential to form the new state of the art in algorithm selection.
CNF-based SAT and MaxSAT solvers are central to logic synthesis and verification systems. The increasing popularity of these constraint problems in electronic design automation encourages studies on different SAT problems and their properties for further computational efficiency. There has been both theoretical and practical success of modern Conflict-driven clause learning SAT solvers, which allows solving very large industrial instances in a relatively short amount of time. Recently, machine learning approaches provide a new dimension to solving this challenging problem. Neural symbolic models could serve as generic solvers that can be specialized for specific domains based on data without any changes to the structure of the model. In this work, we propose a one-shot model derived from the Transformer architecture to solve the MaxSAT problem, which is the optimization version of SAT where the goal is to satisfy the maximum number of clauses. Our model has a scale-free structure which could process varying size of instances. We use meta-path and self-attention mechanism to capture interactions among homogeneous nodes. We adopt cross-attention mechanisms on the bipartite graph to capture interactions among heterogeneous nodes. We further apply an iterative algorithm to our model to satisfy additional clauses, enabling a solution approaching that of an exact-SAT problem. The attention mechanisms leverage the parallelism for speedup. Our evaluation indicates improved speedup compared to heuristic approaches and improved completion rate compared to machine learning approaches.