neurosymbolic system
Symbolic Neural Generation with Applications to Lead Discovery in Drug Design
Srinivasan, Ashwin, Baskar, A, Dash, Tirtharaj, Bain, Michael, Dey, Sanjay Kumar, Banerjee, Mainak
We investigate a relatively underexplored class of hybrid neurosymbolic models integrating symbolic learning with neural reasoning to construct data generators meeting formal correctness criteria. In \textit{Symbolic Neural Generators} (SNGs), symbolic learners examine logical specifications of feasible data from a small set of instances -- sometimes just one. Each specification in turn constrains the conditional information supplied to a neural-based generator, which rejects any instance violating the symbolic specification. Like other neurosymbolic approaches, SNG exploits the complementary strengths of symbolic and neural methods. The outcome of an SNG is a triple $(H, X, W)$, where $H$ is a symbolic description of feasible instances constructed from data, $X$ a set of generated new instances that satisfy the description, and $W$ an associated weight. We introduce a semantics for such systems, based on the construction of appropriate \textit{base} and \textit{fibre} partially-ordered sets combined into an overall partial order, and outline a probabilistic extension relevant to practical applications. In this extension, SNGs result from searching over a weighted partial ordering. We implement an SNG combining a restricted form of Inductive Logic Programming (ILP) with a large language model (LLM) and evaluate it on early-stage drug design. Our main interest is the description and the set of potential inhibitor molecules generated by the SNG. On benchmark problems -- where drug targets are well understood -- SNG performance is statistically comparable to state-of-the-art methods. On exploratory problems with poorly understood targets, generated molecules exhibit binding affinities on par with leading clinical candidates. Experts further find the symbolic specifications useful as preliminary filters, with several generated molecules identified as viable for synthesis and wet-lab testing.
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- Health & Medicine > Pharmaceuticals & Biotechnology (1.00)
- Health & Medicine > Therapeutic Area > Immunology (0.45)
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- Information Technology > Artificial Intelligence > Representation & Reasoning > Logic & Formal Reasoning (1.00)
- Information Technology > Artificial Intelligence > Natural Language > Large Language Model (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Neural Networks > Deep Learning (0.48)
- Information Technology > Artificial Intelligence > Representation & Reasoning > Uncertainty > Bayesian Inference (0.45)
The DeepLog Neurosymbolic Machine
Derkinderen, Vincent, Manhaeve, Robin, Adriaensen, Rik, Van Praet, Lucas, De Smet, Lennert, Marra, Giuseppe, De Raedt, Luc
We contribute a theoretical and operational framework for neurosymbolic AI called DeepLog. DeepLog introduces building blocks and primitives for neurosymbolic AI that make abstraction of commonly used representations and computational mechanisms used in neurosymbolic AI. DeepLog can represent and emulate a wide range of neurosymbolic systems. It consists of two key components. The first is the DeepLog language for specifying neurosymbolic models and inference tasks. This language consists of an annotated neural extension of grounded first-order logic, and makes abstraction of the type of logic, e.g. boolean, fuzzy or probabilistic, and whether logic is used in the architecture or in the loss function. The second DeepLog component is situated at the computational level and uses extended algebraic circuits as computational graphs. Together these two components are to be considered as a neurosymbolic abstract machine, with the DeepLog language as the intermediate level of abstraction and the circuits level as the computational one. DeepLog is implemented in software, relies on the latest insights in implementing algebraic circuits on GPUs, and is declarative in that it is easy to obtain different neurosymbolic models by making different choices for the underlying algebraic structures and logics. The generality and efficiency of the DeepLog neurosymbolic machine is demonstrated through an experimental comparison between 1) different fuzzy and probabilistic logics, 2) between using logic in the architecture or in the loss function, and 3) between a standalone CPU-based implementation of a neurosymbolic AI system and a DeepLog GPU-based one.
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Logical Boltzmann Machines
Tran, Son N., Garcez, Artur d'Avila
The idea of representing symbolic knowledge in connectionist systems has been a long-standing endeavour which has attracted much attention recently with the objective of combining machine learning and scalable sound reasoning. Early work has shown a correspondence between propositional logic and symmetrical neural networks which nevertheless did not scale well with the number of variables and whose training regime was inefficient. In this paper, we introduce Logical Boltzmann Machines (LBM), a neurosymbolic system that can represent any propositional logic formula in strict disjunctive normal form. We prove equivalence between energy minimization in LBM and logical satisfiability thus showing that LBM is capable of sound reasoning. We evaluate reasoning empirically to show that LBM is capable of finding all satisfying assignments of a class of logical formulae by searching fewer than 0.75% of the possible (approximately 1 billion) assignments. We compare learning in LBM with a symbolic inductive logic programming system, a state-of-the-art neurosymbolic system and a purely neural network-based system, achieving better learning performance in five out of seven data sets.
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- Information Technology > Artificial Intelligence > Representation & Reasoning > Logic & Formal Reasoning (1.00)
- Information Technology > Artificial Intelligence > Representation & Reasoning > Expert Systems (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Neural Networks (1.00)
- Information Technology > Artificial Intelligence > Machine Learning > Learning Graphical Models > Undirected Networks > Markov Models (0.86)
Neurosymbolic Systems of Perception & Cognition: The Role of Attention
Latapie, Hugo, Kilic, Ozkan, Thorisson, Kristinn R., Wang, Pei, Hammer, Patrick
A cognitive architecture aimed at cumulative learning must provide the necessary information and control structures to allow agents to learn incrementally and autonomously from their experience. This involves managing an agent's goals as well as continuously relating sensory information to these in its perception-cognition information stack. The more varied the environment of a learning agent is, the more general and flexible must be these mechanisms to handle a wider variety of relevant patterns, tasks, and goal structures. While many researchers agree that information at different levels of abstraction likely differs in its makeup and structure and processing mechanisms, agreement on the particulars of such differences is not generally shared in the research community. A binary processing architecture (often referred to as System-1 and System-2) has been proposed as a model of cognitive processing for low- and high-level information, respectively. We posit that cognition is not binary in this way and that knowledge at any level of abstraction involves what we refer to as neurosymbolic information, meaning that data at both high and low levels must contain both symbolic and subsymbolic information. Further, we argue that the main differentiating factor between the processing of high and low levels of data abstraction can be largely attributed to the nature of the involved attention mechanisms. We describe the key arguments behind this view and review relevant evidence from the literature.
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- Health & Medicine > Therapeutic Area > Psychiatry/Psychology (1.00)
- Health & Medicine > Therapeutic Area > Neurology (1.00)