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Scientific experimentation involves an iterative process of creating hypotheses, designing experiments, running experiments, and analyzing the results. Can we build AI research agents to perform these long-horizon tasks? To take a step towards building and evaluating research agents on such open-ended decision-making tasks, we focus on the problem of machine learning engineering: given a task description and a dataset, build a high-performing model. In this paper, we propose MLAgentBench, a suite of ML tasks for benchmarking AI research agents. Agents can perform actions like reading/writing files, executing code, and inspecting outputs. With these actions, agents could run experiments, analyze the results, and modify the code of entire machine learning pipelines, such as data processing, architecture, training processes, etc. The benchmark then automatically evaluates the agent's performance objectively over various metrics related to performance and efficiency. We also design an LLM-based research agent to automatically perform experimentation loops in such an environment. Empirically, we find that a GPT-4-based research agent can feasibly build compelling ML models over many tasks in MLAgentBench, displaying highly interpretable plans and actions. However, the success rates vary considerably; they span from almost 90\% on well-established older datasets to as low as 10\% on recent Kaggle Challenges -- unavailable during the LLM model's pretraining -- and even 0\% on newer research challenges like BabyLM. Finally, we identify several key challenges for LLM-based research agents such as long-term planning and hallucination. Our code is released at //github.com/snap-stanford/MLAgentBench.

Higher order artificial neurons whose outputs are computed by applying an activation function to a higher order multinomial function of the inputs have been considered in the past, but did not gain acceptance due to the extra parameters and computational cost. However, higher order neurons have significantly greater learning capabilities since the decision boundaries of higher order neurons can be complex surfaces instead of just hyperplanes. The boundary of a single quadratic neuron can be a general hyper-quadric surface allowing it to learn many nonlinearly separable datasets. Since quadratic forms can be represented by symmetric matrices, only $\frac{n(n+1)}{2}$ additional parameters are needed instead of $n^2$. A quadratic Logistic regression model is first presented. Solutions to the XOR problem with a single quadratic neuron are considered. The complete vectorized equations for both forward and backward propagation in feedforward networks composed of quadratic neurons are derived. A reduced parameter quadratic neural network model with just $ n $ additional parameters per neuron that provides a compromise between learning ability and computational cost is presented. Comparison on benchmark classification datasets are used to demonstrate that a final layer of quadratic neurons enables networks to achieve higher accuracy with significantly fewer hidden layer neurons. In particular this paper shows that any dataset composed of $C$ bounded clusters can be separated with only a single layer of $C$ quadratic neurons.

Multivariate spatial modeling is key to understanding the behavior of materials downstream in a mining operation. The ore recovery depends on the mineralogical composition, which needs to be properly captured by the model to allow for good predictions. Multivariate modeling must also capture the behavior of tailings and waste materials to understand the environmental risks involved in their disposal. However, multivariate spatial modeling is challenging when the variables show complex relationships, such as non-linear correlation, heteroscedastic behavior, or spatial trends. This contribution proposes a novel methodology for general multivariate contexts, with the idea of disaggregating the global non-linear behavior among variables into the spatial domain in a piece-wise linear fashion. We demonstrate that the complex multivariate behavior can be reproduced by looking at local correlations between variables at sample locations, inferred from a local neighborhood, and interpolating these local linear dependencies by using a non-stationary version of the Linear Model of Coregionalization. This mixture of locally varying linear correlations is combined to reproduce the global complex behavior seen in the multivariate distribution. The main challenge is to solve appropriately the interpolation of the known correlation matrices over the domain, as these local correlations defined at sample locations can be endowed with a manifold structure, on which the Euclidean distance is not a suitable metric for interpolation of such correlations. This is addressed by using tools from Riemannian geometry: correlation matrices are interpolated using a weighted Fr\'echet mean of the correlations inferred at sample locations. An application of the procedure is shown in a real case study with good results in terms of accuracy and reproduction of the reference multivariate distributions and semi-variograms.

Statically analyzing dynamically-typed code is a challenging endeavor, as even seemingly trivial tasks such as determining the targets of procedure calls are non-trivial without knowing the types of objects at compile time. Addressing this challenge, gradual typing is increasingly added to dynamically-typed languages, a prominent example being TypeScript that introduces static typing to JavaScript. Gradual typing improves the developer's ability to verify program behavior, contributing to robust, secure and debuggable programs. In practice, however, users only sparsely annotate types directly. At the same time, conventional type inference faces performance-related challenges as program size grows. Statistical techniques based on machine learning offer faster inference, but although recent approaches demonstrate overall improved accuracy, they still perform significantly worse on user-defined types than on the most common built-in types. Limiting their real-world usefulness even more, they rarely integrate with user-facing applications. We propose CodeTIDAL5, a Transformer-based model trained to reliably predict type annotations. For effective result retrieval and re-integration, we extract usage slices from a program's code property graph. Comparing our approach against recent neural type inference systems, our model outperforms the current state-of-the-art by 7.85% on the ManyTypes4TypeScript benchmark, achieving 71.27% accuracy overall. Furthermore, we present JoernTI, an integration of our approach into Joern, an open source static analysis tool, and demonstrate that the analysis benefits from the additional type information. As our model allows for fast inference times even on commodity CPUs, making our system available through Joern leads to high accessibility and facilitates security research.

Software engineering is a domain characterized by intricate decision-making processes, often relying on nuanced intuition and consultation. Recent advancements in deep learning have started to revolutionize software engineering practices through elaborate designs implemented at various stages of software development. In this paper, we present an innovative paradigm that leverages large language models (LLMs) throughout the entire software development process, streamlining and unifying key processes through natural language communication, thereby eliminating the need for specialized models at each phase. At the core of this paradigm lies ChatDev, a virtual chat-powered software development company that mirrors the established waterfall model, meticulously dividing the development process into four distinct chronological stages: designing, coding, testing, and documenting. Each stage engages a team of agents, such as programmers, code reviewers, and test engineers, fostering collaborative dialogue and facilitating a seamless workflow. The chat chain acts as a facilitator, breaking down each stage into atomic subtasks. This enables dual roles, allowing for proposing and validating solutions through context-aware communication, leading to efficient resolution of specific subtasks. The instrumental analysis of ChatDev highlights its remarkable efficacy in software generation, enabling the completion of the entire software development process in under seven minutes at a cost of less than one dollar. It not only identifies and alleviates potential vulnerabilities but also rectifies potential hallucinations while maintaining commendable efficiency and cost-effectiveness. The potential of ChatDev unveils fresh possibilities for integrating LLMs into the realm of software development.

2D-based Industrial Anomaly Detection has been widely discussed, however, multimodal industrial anomaly detection based on 3D point clouds and RGB images still has many untouched fields. Existing multimodal industrial anomaly detection methods directly concatenate the multimodal features, which leads to a strong disturbance between features and harms the detection performance. In this paper, we propose Multi-3D-Memory (M3DM), a novel multimodal anomaly detection method with hybrid fusion scheme: firstly, we design an unsupervised feature fusion with patch-wise contrastive learning to encourage the interaction of different modal features; secondly, we use a decision layer fusion with multiple memory banks to avoid loss of information and additional novelty classifiers to make the final decision. We further propose a point feature alignment operation to better align the point cloud and RGB features. Extensive experiments show that our multimodal industrial anomaly detection model outperforms the state-of-the-art (SOTA) methods on both detection and segmentation precision on MVTec-3D AD dataset. Code is available at //github.com/nomewang/M3DM.

Causality can be described in terms of a structural causal model (SCM) that carries information on the variables of interest and their mechanistic relations. For most processes of interest the underlying SCM will only be partially observable, thus causal inference tries to leverage any exposed information. Graph neural networks (GNN) as universal approximators on structured input pose a viable candidate for causal learning, suggesting a tighter integration with SCM. To this effect we present a theoretical analysis from first principles that establishes a novel connection between GNN and SCM while providing an extended view on general neural-causal models. We then establish a new model class for GNN-based causal inference that is necessary and sufficient for causal effect identification. Our empirical illustration on simulations and standard benchmarks validate our theoretical proofs.

Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.

We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.

We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.