Daily Papers

Recent advancement in text-to-image models (e.g., Stable Diffusion) and corresponding personalized technologies (e.g., DreamBooth and LoRA) enables individuals to generate high-quality and imaginative images. However, they often suffer from limitations when generating images with resolutions outside of their trained domain. To overcome this limitation, we present the Resolution Adapter (ResAdapter), a domain-consistent adapter designed for diffusion models to generate images with unrestricted resolutions and aspect ratios. Unlike other multi-resolution generation methods that process images of static resolution with complex post-process operations, ResAdapter directly generates images with the dynamical resolution. Especially, after learning a deep understanding of pure resolution priors, ResAdapter trained on the general dataset, generates resolution-free images with personalized diffusion models while preserving their original style domain. Comprehensive experiments demonstrate that ResAdapter with only 0.5M can process images with flexible resolutions for arbitrary diffusion models. More extended experiments demonstrate that ResAdapter is compatible with other modules (e.g., ControlNet, IP-Adapter and LCM-LoRA) for image generation across a broad range of resolutions, and can be integrated into other multi-resolution model (e.g., ElasticDiffusion) for efficiently generating higher-resolution images. Project link is https://res-adapter.github.io

We study the ability of state-of-the art models to answer constraint satisfaction queries for information retrieval (e.g., 'a list of ice cream shops in San Diego'). In the past, such queries were considered to be tasks that could only be solved via web-search or knowledge bases. More recently, large language models (LLMs) have demonstrated initial emergent abilities in this task. However, many current retrieval benchmarks are either saturated or do not measure constraint satisfaction. Motivated by rising concerns around factual incorrectness and hallucinations of LLMs, we present KITAB, a new dataset for measuring constraint satisfaction abilities of language models. KITAB consists of book-related data across more than 600 authors and 13,000 queries, and also offers an associated dynamic data collection and constraint verification approach for acquiring similar test data for other authors. Our extended experiments on GPT4 and GPT3.5 characterize and decouple common failure modes across dimensions such as information popularity, constraint types, and context availability. Results show that in the absence of context, models exhibit severe limitations as measured by irrelevant information, factual errors, and incompleteness, many of which exacerbate as information popularity decreases. While context availability mitigates irrelevant information, it is not helpful for satisfying constraints, identifying fundamental barriers to constraint satisfaction. We open source our contributions to foster further research on improving constraint satisfaction abilities of future models.

Large Language Models (LLMs) have achieved remarkable success in natural language processing, but their full fine-tuning remains resource-intensive. Parameter-Efficient Fine-Tuning (PEFT) methods, such as Low-Rank Adaptation (LoRA), have emerged as a practical solution by approximating parameter updates with low-rank matrices. However, LoRA often exhibits a "double descent" phenomenon during fine-tuning, where model performance degrades due to overfitting and limited expressiveness caused by low-rank constraints. To address this issue, we propose LoRA-GGPO (Gradient-Guided Perturbation Optimization), a novel method that leverages gradient and weight norms to generate targeted perturbations. By optimizing the sharpness of the loss landscape, LoRA-GGPO guides the model toward flatter minima, mitigating the double descent problem and improving generalization. Extensive experiments on natural language understanding (NLU) and generation (NLG) tasks demonstrate that LoRA-GGPO outperforms LoRA and its state-of-the-art variants. Furthermore, extended experiments specifically designed to analyze the double descent phenomenon confirm that LoRA-GGPO effectively alleviates this issue, producing more robust and generalizable models. Our work provides a robust and efficient solution for fine-tuning LLMs, with broad applicability in real-world scenarios. The code is available at https://github.com/llm172/LoRA-GGPO.

In this paper, a multi-scale visual transformer model, referred as GasHis-Transformer, is proposed for Gastric Histopathological Image Detection (GHID), which enables the automatic global detection of gastric cancer images. GasHis-Transformer model consists of two key modules designed to extract global and local information using a position-encoded transformer model and a convolutional neural network with local convolution, respectively. A publicly available hematoxylin and eosin (H&E) stained gastric histopathological image dataset is used in the experiment. Furthermore, a Dropconnect based lightweight network is proposed to reduce the model size and training time of GasHis-Transformer for clinical applications with improved confidence. Moreover, a series of contrast and extended experiments verify the robustness, extensibility and stability of GasHis-Transformer. In conclusion, GasHis-Transformer demonstrates high global detection performance and shows its significant potential in GHID task.

Deep representation learning methods struggle with continual learning, suffering from both catastrophic forgetting of useful units and loss of plasticity, often due to rigid and unuseful units. While many methods address these two issues separately, only a few currently deal with both simultaneously. In this paper, we introduce Utility-based Perturbed Gradient Descent (UPGD) as a novel approach for the continual learning of representations. UPGD combines gradient updates with perturbations, where it applies smaller modifications to more useful units, protecting them from forgetting, and larger modifications to less useful units, rejuvenating their plasticity. We use a challenging streaming learning setup where continual learning problems have hundreds of non-stationarities and unknown task boundaries. We show that many existing methods suffer from at least one of the issues, predominantly manifested by their decreasing accuracy over tasks. On the other hand, UPGD continues to improve performance and surpasses or is competitive with all methods in all problems. Finally, in extended reinforcement learning experiments with PPO, we show that while Adam exhibits a performance drop after initial learning, UPGD avoids it by addressing both continual learning issues.

Long-context modeling capabilities have garnered widespread attention, leading to the emergence of Large Language Models (LLMs) with ultra-context windows. Meanwhile, benchmarks for evaluating long-context LLMs are gradually catching up. However, existing benchmarks employ irrelevant noise texts to artificially extend the length of test cases, diverging from the real-world scenarios of long-context applications. To bridge this gap, we propose a novel long-context benchmark, Loong, aligning with realistic scenarios through extended multi-document question answering (QA). Unlike typical document QA, in Loong's test cases, each document is relevant to the final answer, ignoring any document will lead to the failure of the answer. Furthermore, Loong introduces four types of tasks with a range of context lengths: Spotlight Locating, Comparison, Clustering, and Chain of Reasoning, to facilitate a more realistic and comprehensive evaluation of long-context understanding. Extensive experiments indicate that existing long-context language models still exhibit considerable potential for enhancement. Retrieval augmented generation (RAG) achieves poor performance, demonstrating that Loong can reliably assess the model's long-context modeling capabilities.

E-commerce query understanding is the process of inferring the shopping intent of customers by extracting semantic meaning from their search queries. The recent progress of pre-trained masked language models (MLM) in natural language processing is extremely attractive for developing effective query understanding models. Specifically, MLM learns contextual text embedding via recovering the masked tokens in the sentences. Such a pre-training process relies on the sufficient contextual information. It is, however, less effective for search queries, which are usually short text. When applying masking to short search queries, most contextual information is lost and the intent of the search queries may be changed. To mitigate the above issues for MLM pre-training on search queries, we propose a novel pre-training task specifically designed for short text, called Extended Token Classification (ETC). Instead of masking the input text, our approach extends the input by inserting tokens via a generator network, and trains a discriminator to identify which tokens are inserted in the extended input. We conduct experiments in an E-commerce store to demonstrate the effectiveness of ETC.

We introduce an Extended Textual Conditioning space in text-to-image models, referred to as P+. This space consists of multiple textual conditions, derived from per-layer prompts, each corresponding to a layer of the denoising U-net of the diffusion model. We show that the extended space provides greater disentangling and control over image synthesis. We further introduce Extended Textual Inversion (XTI), where the images are inverted into P+, and represented by per-layer tokens. We show that XTI is more expressive and precise, and converges faster than the original Textual Inversion (TI) space. The extended inversion method does not involve any noticeable trade-off between reconstruction and editability and induces more regular inversions. We conduct a series of extensive experiments to analyze and understand the properties of the new space, and to showcase the effectiveness of our method for personalizing text-to-image models. Furthermore, we utilize the unique properties of this space to achieve previously unattainable results in object-style mixing using text-to-image models. Project page: https://prompt-plus.github.io

Detection of human body and its parts (e.g., head or hands) has been intensively studied. However, most of these CNNs-based detectors are trained independently, making it difficult to associate detected parts with body. In this paper, we focus on the joint detection of human body and its corresponding parts. Specifically, we propose a novel extended object representation integrating center-offsets of body parts, and construct a dense one-stage generic Body-Part Joint Detector (BPJDet). In this way, body-part associations are neatly embedded in a unified object representation containing both semantic and geometric contents. Therefore, we can perform multi-loss optimizations to tackle multi-tasks synergistically. BPJDet does not suffer from error-prone post matching, and keeps a better trade-off between speed and accuracy. Furthermore, BPJDet can be generalized to detect any one or more body parts. To verify the superiority of BPJDet, we conduct experiments on three body-part datasets (CityPersons, CrowdHuman and BodyHands) and one body-parts dataset COCOHumanParts. While keeping high detection accuracy, BPJDet achieves state-of-the-art association performance on all datasets comparing with its counterparts. Besides, we show benefits of advanced body-part association capability by improving performance of two representative downstream applications: accurate crowd head detection and hand contact estimation. Code is released in https://github.com/hnuzhy/BPJDet.

Human motion generation is a cut-edge area of research in generative computer vision, with promising applications in video creation, game development, and robotic manipulation. The recent Mamba architecture shows promising results in efficiently modeling long and complex sequences, yet two significant challenges remain: Firstly, directly applying Mamba to extended motion generation is ineffective, as the limited capacity of the implicit memory leads to memory decay. Secondly, Mamba struggles with multimodal fusion compared to Transformers, and lack alignment with textual queries, often confusing directions (left or right) or omitting parts of longer text queries. To address these challenges, our paper presents three key contributions: Firstly, we introduce KMM, a novel architecture featuring Key frame Masking Modeling, designed to enhance Mamba's focus on key actions in motion segments. This approach addresses the memory decay problem and represents a pioneering method in customizing strategic frame-level masking in SSMs. Additionally, we designed a contrastive learning paradigm for addressing the multimodal fusion problem in Mamba and improving the motion-text alignment. Finally, we conducted extensive experiments on the go-to dataset, BABEL, achieving state-of-the-art performance with a reduction of more than 57% in FID and 70% parameters compared to previous state-of-the-art methods. See project website: https://steve-zeyu-zhang.github.io/KMM

The detection of human body and its related parts (e.g., face, head or hands) have been intensively studied and greatly improved since the breakthrough of deep CNNs. However, most of these detectors are trained independently, making it a challenging task to associate detected body parts with people. This paper focuses on the problem of joint detection of human body and its corresponding parts. Specifically, we propose a novel extended object representation that integrates the center location offsets of body or its parts, and construct a dense single-stage anchor-based Body-Part Joint Detector (BPJDet). Body-part associations in BPJDet are embedded into the unified representation which contains both the semantic and geometric information. Therefore, BPJDet does not suffer from error-prone association post-matching, and has a better accuracy-speed trade-off. Furthermore, BPJDet can be seamlessly generalized to jointly detect any body part. To verify the effectiveness and superiority of our method, we conduct extensive experiments on the CityPersons, CrowdHuman and BodyHands datasets. The proposed BPJDet detector achieves state-of-the-art association performance on these three benchmarks while maintains high accuracy of detection. Code is in https://github.com/hnuzhy/BPJDet.

Depression has proven to be a significant public health issue, profoundly affecting the psychological well-being of individuals. If it remains undiagnosed, depression can lead to severe health issues, which can manifest physically and even lead to suicide. Generally, Diagnosing depression or any other mental disorder involves conducting semi-structured interviews alongside supplementary questionnaires, including variants of the Patient Health Questionnaire (PHQ) by Clinicians and mental health professionals. This approach places significant reliance on the experience and judgment of trained physicians, making the diagnosis susceptible to personal biases. Given that the underlying mechanisms causing depression are still being actively researched, physicians often face challenges in diagnosing and treating the condition, particularly in its early stages of clinical presentation. Recently, significant strides have been made in Artificial neural computing to solve problems involving text, image, and speech in various domains. Our analysis has aimed to leverage these state-of-the-art (SOTA) models in our experiments to achieve optimal outcomes leveraging multiple modalities. The experiments were performed on the Extended Distress Analysis Interview Corpus Wizard of Oz dataset (E-DAIC) corpus presented in the Audio/Visual Emotion Challenge (AVEC) 2019 Challenge. The proposed solutions demonstrate better results achieved by Proprietary and Open-source Large Language Models (LLMs), which achieved a Root Mean Square Error (RMSE) score of 3.98 on Textual Modality, beating the AVEC 2019 challenge baseline results and current SOTA regression analysis architectures. Additionally, the proposed solution achieved an accuracy of 71.43% in the classification task. The paper also includes a novel audio-visual multi-modal network that predicts PHQ-8 scores with an RMSE of 6.51.

In this paper, we present significant advancements in the pretraining of Mistral 7B, a large-scale language model, using a dataset of 32.6 GB, equivalent to 1.1 billion tokens. We explore the impact of extending the context length, releasing models with context lengths of 4096 and 32768 tokens, and further refining performance with a specialized 16384 context length instruction-tuned model, we called it Malaysian Mistral. Our experiments demonstrate the efficacy of continue pretraining and the influence of extended context lengths on Mistral 7B's language understanding capabilities. Additionally, we release a model specifically tuned with a 16384 context length instruction, showcasing its potential for capturing nuanced language intricacies. Furthermore, our research contributes to the benchmarking of Malaysian Mistral against prominent language models, including ChatGPT3.5 and Claude 2. We present compelling results indicating Malaysian Mistral's superior performance on Tatabahasa (Malay grammar) test set, particularly when fine-tuned with instructions. All models released at https://huggingface.co/collections/mesolitica/malaysian-mistral-7b-6528f2ec825f4bba46c1700c

High-speed online trajectory planning for UAVs poses a significant challenge due to the need for precise modeling of complex dynamics while also being constrained by computational limitations. This paper presents a multi-fidelity reinforcement learning method (MFRL) that aims to effectively create a realistic dynamics model and simultaneously train a planning policy that can be readily deployed in real-time applications. The proposed method involves the co-training of a planning policy and a reward estimator; the latter predicts the performance of the policy's output and is trained efficiently through multi-fidelity Bayesian optimization. This optimization approach models the correlation between different fidelity levels, thereby constructing a high-fidelity model based on a low-fidelity foundation, which enables the accurate development of the reward model with limited high-fidelity experiments. The framework is further extended to include real-world flight experiments in reinforcement learning training, allowing the reward model to precisely reflect real-world constraints and broadening the policy's applicability to real-world scenarios. We present rigorous evaluations by training and testing the planning policy in both simulated and real-world environments. The resulting trained policy not only generates faster and more reliable trajectories compared to the baseline snap minimization method, but it also achieves trajectory updates in 2 ms on average, while the baseline method takes several minutes.

Despite advances in Large Multi-modal Models, applying them to long and untrimmed video content remains challenging due to limitations in context length and substantial memory overhead. These constraints often lead to significant information loss and reduced relevance in the model responses. With the exponential growth of video data across web platforms, understanding long-form video is crucial for advancing generalized intelligence. In this paper, we introduce SALOVA: Segment-Augmented LOng Video Assistant, a novel video-LLM framework designed to enhance the comprehension of lengthy video content through targeted retrieval process. We address two main challenges to achieve it: (i) We present the SceneWalk dataset, a high-quality collection of 87.8K long videos, each densely captioned at the segment level to enable models to capture scene continuity and maintain rich descriptive context. (ii) We develop robust architectural designs integrating dynamic routing mechanism and spatio-temporal projector to efficiently retrieve and process relevant video segments based on user queries. Our framework mitigates the limitations of current video-LMMs by allowing for precise identification and retrieval of relevant video segments in response to queries, thereby improving the contextual relevance of the generated responses. Through extensive experiments, SALOVA demonstrates enhanced capability in processing complex long-form videos, showing significant capability to maintain contextual integrity across extended sequences.

Autoregressive models are typically applied to sequences of discrete tokens, but recent research indicates that generating sequences of continuous embeddings in an autoregressive manner is also feasible. However, such Continuous Autoregressive Models (CAMs) can suffer from a decline in generation quality over extended sequences due to error accumulation during inference. We introduce a novel method to address this issue by injecting random noise into the input embeddings during training. This procedure makes the model robust against varying error levels at inference. We further reduce error accumulation through an inference procedure that introduces low-level noise. Experiments on musical audio generation show that CAM substantially outperforms existing autoregressive and non-autoregressive approaches while preserving audio quality over extended sequences. This work paves the way for generating continuous embeddings in a purely autoregressive setting, opening new possibilities for real-time and interactive generative applications.

Shape assembly is a ubiquitous task in daily life, integral for constructing complex 3D structures like IKEA furniture. While significant progress has been made in developing autonomous agents for shape assembly, existing datasets have not yet tackled the 4D grounding of assembly instructions in videos, essential for a holistic understanding of assembly in 3D space over time. We introduce IKEA Video Manuals, a dataset that features 3D models of furniture parts, instructional manuals, assembly videos from the Internet, and most importantly, annotations of dense spatio-temporal alignments between these data modalities. To demonstrate the utility of IKEA Video Manuals, we present five applications essential for shape assembly: assembly plan generation, part-conditioned segmentation, part-conditioned pose estimation, video object segmentation, and furniture assembly based on instructional video manuals. For each application, we provide evaluation metrics and baseline methods. Through experiments on our annotated data, we highlight many challenges in grounding assembly instructions in videos to improve shape assembly, including handling occlusions, varying viewpoints, and extended assembly sequences.

Large language models (LLMs) have shown remarkable performance in various natural language processing tasks. However, a primary constraint they face is the context limit, i.e., the maximum number of tokens they can process. Previous works have explored architectural changes and modifications in positional encoding to relax the constraint, but they often require expensive training or do not address the computational demands of self-attention. In this paper, we present Hierarchical cOntext MERging (HOMER), a new training-free scheme designed to overcome the limitations. HOMER uses a divide-and-conquer algorithm, dividing long inputs into manageable chunks. Each chunk is then processed collectively, employing a hierarchical strategy that merges adjacent chunks at progressive transformer layers. A token reduction technique precedes each merging, ensuring memory usage efficiency. We also propose an optimized computational order reducing the memory requirement to logarithmically scale with respect to input length, making it especially favorable for environments with tight memory restrictions. Our experiments demonstrate the proposed method's superior performance and memory efficiency, enabling the broader use of LLMs in contexts requiring extended context. Code is available at https://github.com/alinlab/HOMER.

Everyday tasks of long-horizon and comprising a sequence of multiple implicit subtasks still impose a major challenge in offline robot control. While a number of prior methods aimed to address this setting with variants of imitation and offline reinforcement learning, the learned behavior is typically narrow and often struggles to reach configurable long-horizon goals. As both paradigms have complementary strengths and weaknesses, we propose a novel hierarchical approach that combines the strengths of both methods to learn task-agnostic long-horizon policies from high-dimensional camera observations. Concretely, we combine a low-level policy that learns latent skills via imitation learning and a high-level policy learned from offline reinforcement learning for skill-chaining the latent behavior priors. Experiments in various simulated and real robot control tasks show that our formulation enables producing previously unseen combinations of skills to reach temporally extended goals by "stitching" together latent skills through goal chaining with an order-of-magnitude improvement in performance upon state-of-the-art baselines. We even learn one multi-task visuomotor policy for 25 distinct manipulation tasks in the real world which outperforms both imitation learning and offline reinforcement learning techniques.

Due to the increased demand for music streaming/recommender services and the recent developments of music information retrieval frameworks, Music Genre Classification (MGC) has attracted the community's attention. However, convolutional-based approaches are known to lack the ability to efficiently encode and localize temporal features. In this paper, we study the broadcast-based neural networks aiming to improve the localization and generalizability under a small set of parameters (about 180k) and investigate twelve variants of broadcast networks discussing the effect of block configuration, pooling method, activation function, normalization mechanism, label smoothing, channel interdependency, LSTM block inclusion, and variants of inception schemes. Our computational experiments using relevant datasets such as GTZAN, Extended Ballroom, HOMBURG, and Free Music Archive (FMA) show state-of-the-art classification accuracies in Music Genre Classification. Our approach offers insights and the potential to enable compact and generalizable broadcast networks for music and audio classification.

One approach to reducing the massive costs of large language models (LLMs) is the use of quantized or sparse representations for training or deployment. While post-training compression methods are very popular, the question of obtaining even more accurate compressed models by directly training over such representations, i.e., Quantization-Aware Training (QAT), is still open: for example, a recent study (arXiv:2411.04330v2) put the "optimal" bit-width at which models can be trained using QAT, while staying accuracy-competitive with standard FP16/BF16 precision, at 8-bits weights and activations. We advance this state-of-the-art via a new method called QuEST, which is Pareto-competitive with FP16, i.e., it provides better accuracy at lower model size, while training models with weights and activations in 4-bits or less. Moreover, QuEST allows stable training with 1-bit weights and activations. QuEST achieves this by improving two key aspects of QAT methods: (1) accurate and fast quantization of the (continuous) distributions of weights and activations via Hadamard normalization and MSE-optimal fitting; (2) a new trust gradient estimator based on the idea of explicitly minimizing the error between the noisy gradient computed over quantized states and the "true" (but unknown) full-precision gradient. Experiments on Llama-type architectures show that QuEST induces stable scaling laws across the entire range of hardware-supported precisions, and can be extended to sparse representations. We provide GPU kernel support showing that models produced by QuEST can be executed efficiently. Our code is available at https://github.com/IST-DASLab/QuEST.

Vision transformer based models bring significant improvements for image segmentation tasks. Although these architectures offer powerful capabilities irrespective of specific segmentation tasks, their use of computational resources can be taxing on deployed devices. One way to overcome this challenge is by adapting the computation level to the specific needs of the input image rather than the current one-size-fits-all approach. To this end, we introduce ECO-M2F or EffiCient TransfOrmer Encoders for Mask2Former-style models. Noting that the encoder module of M2F-style models incur high resource-intensive computations, ECO-M2F provides a strategy to self-select the number of hidden layers in the encoder, conditioned on the input image. To enable this self-selection ability for providing a balance between performance and computational efficiency, we present a three step recipe. The first step is to train the parent architecture to enable early exiting from the encoder. The second step is to create an derived dataset of the ideal number of encoder layers required for each training example. The third step is to use the aforementioned derived dataset to train a gating network that predicts the number of encoder layers to be used, conditioned on the input image. Additionally, to change the computational-accuracy tradeoff, only steps two and three need to be repeated which significantly reduces retraining time. Experiments on the public datasets show that the proposed approach reduces expected encoder computational cost while maintaining performance, adapts to various user compute resources, is flexible in architecture configurations, and can be extended beyond the segmentation task to object detection.

Text embedding models have emerged as powerful tools for transforming sentences into fixed-sized feature vectors that encapsulate semantic information. While these models are essential for tasks like information retrieval, semantic clustering, and text re-ranking, most existing open-source models, especially those built on architectures like BERT, struggle to represent lengthy documents and often resort to truncation. One common approach to mitigate this challenge involves splitting documents into smaller paragraphs for embedding. However, this strategy results in a much larger set of vectors, consequently leading to increased memory consumption and computationally intensive vector searches with elevated latency. To address these challenges, we introduce Jina Embeddings 2, an open-source text embedding model capable of accommodating up to 8192 tokens. This model is designed to transcend the conventional 512-token limit and adeptly process long documents. Jina Embeddings 2 not only achieves state-of-the-art performance on a range of embedding-related tasks in the MTEB benchmark but also matches the performance of OpenAI's proprietary ada-002 model. Additionally, our experiments indicate that an extended context can enhance performance in tasks such as NarrativeQA.

The inert doublet model (IDM), a minimal extension of the Standard Model (SM), provides a scalar dark matter (DM) candidate that belongs to the additional Higgs doublet. The model faces challenges in achieving the correct relic abundance for compressed spectra and DM masses in the high-mass range. In this work we introduce a Z_2-odd singlet vector-like quark (VLQ) into the IDM framework that helps us alleviate these issues and provide new channels of contributions to the relic abundance. The VLQ not only enhances the DM relic abundance for masses above ~550 GeV but also eases constraints from direct detection experiments by enabling smaller couplings between the inert scalars and the SM Higgs. We analyze the impact of the VLQ on DM phenomenology, including relic density, direct and indirect detection constraints. The results demonstrate that the extended IDM framework not only resolves existing limitations in the compressed spectrum but also offers exciting prospects for detection in current and future collider experiments.

Selective state-space models (SSMs) like Mamba overcome some of the shortcomings of Transformers, such as quadratic computational complexity with sequence length and large inference-time memory requirements from the key-value cache. Moreover, recent studies have shown that SSMs can match or exceed the language modeling capabilities of Transformers, making them an attractive alternative. In a controlled setting (e.g., same data), however, studies so far have only presented small scale experiments comparing SSMs to Transformers. To understand the strengths and weaknesses of these architectures at larger scales, we present a direct comparison between 8B-parameter Mamba, Mamba-2, and Transformer models trained on the same datasets of up to 3.5T tokens. We also compare these models to a hybrid architecture consisting of 43% Mamba-2, 7% attention, and 50% MLP layers (Mamba-2-Hybrid). Using a diverse set of tasks, we answer the question of whether Mamba models can match Transformers at larger training budgets. Our results show that while pure SSMs match or exceed Transformers on many tasks, they lag behind Transformers on tasks which require strong copying or in-context learning abilities (e.g., 5-shot MMLU, Phonebook) or long-context reasoning. In contrast, we find that the 8B Mamba-2-Hybrid exceeds the 8B Transformer on all 12 standard tasks we evaluated (+2.65 points on average) and is predicted to be up to 8x faster when generating tokens at inference time. To validate long-context capabilities, we provide additional experiments evaluating variants of the Mamba-2-Hybrid and Transformer extended to support 16K, 32K, and 128K sequences. On an additional 23 long-context tasks, the hybrid model continues to closely match or exceed the Transformer on average. To enable further study, we release the checkpoints as well as the code used to train our models as part of NVIDIA's Megatron-LM project.

The largest experiments in machine learning now require resources far beyond the budget of all but a few institutions. Fortunately, it has recently been shown that the results of these huge experiments can often be extrapolated from the results of a sequence of far smaller, cheaper experiments. In this work, we show that not only can the extrapolation be done based on the size of the model, but on the size of the problem as well. By conducting a sequence of experiments using AlphaZero and Hex, we show that the performance achievable with a fixed amount of compute degrades predictably as the game gets larger and harder. Along with our main result, we further show that the test-time and train-time compute available to an agent can be traded off while maintaining performance.

Instrumental variable (IV) methods are used to estimate causal effects in settings with unobserved confounding, where we cannot directly experiment on the treatment variable. Instruments are variables which only affect the outcome indirectly via the treatment variable(s). Most IV applications focus on low-dimensional treatments and crucially require at least as many instruments as treatments. This assumption is restrictive: in the natural sciences we often seek to infer causal effects of high-dimensional treatments (e.g., the effect of gene expressions or microbiota on health and disease), but can only run few experiments with a limited number of instruments (e.g., drugs or antibiotics). In such underspecified problems, the full treatment effect is not identifiable in a single experiment even in the linear case. We show that one can still reliably recover the projection of the treatment effect onto the instrumented subspace and develop techniques to consistently combine such partial estimates from different sets of instruments. We then leverage our combined estimators in an algorithm that iteratively proposes the most informative instruments at each round of experimentation to maximize the overall information about the full causal effect.

Indirect experiments provide a valuable framework for estimating treatment effects in situations where conducting randomized control trials (RCTs) is impractical or unethical. Unlike RCTs, indirect experiments estimate treatment effects by leveraging (conditional) instrumental variables, enabling estimation through encouragement and recommendation rather than strict treatment assignment. However, the sample efficiency of such estimators depends not only on the inherent variability in outcomes but also on the varying compliance levels of users with the instrumental variables and the choice of estimator being used, especially when dealing with numerous instrumental variables. While adaptive experiment design has a rich literature for direct experiments, in this paper we take the initial steps towards enhancing sample efficiency for indirect experiments by adaptively designing a data collection policy over instrumental variables. Our main contribution is a practical computational procedure that utilizes influence functions to search for an optimal data collection policy, minimizing the mean-squared error of the desired (non-linear) estimator. Through experiments conducted in various domains inspired by real-world applications, we showcase how our method can significantly improve the sample efficiency of indirect experiments.

In their recent Nature Human Behaviour paper, "Emergent analogical reasoning in large language models," (Webb, Holyoak, and Lu, 2023) the authors argue that "large language models such as GPT-3 have acquired an emergent ability to find zero-shot solutions to a broad range of analogy problems." In this response, we provide counterexamples of the letter string analogies. In our tests, GPT-3 fails to solve even the easiest variants of the problems presented in the original paper. Zero-shot reasoning is an extraordinary claim that requires extraordinary evidence. We do not see that evidence in our experiments. To strengthen claims of humanlike reasoning such as zero-shot reasoning, it is important that the field develop approaches that rule out data memorization.

Science and Engineering fairs offer K-12 students opportunities to engage with authentic STEM practices. Particularly, students are given the chance to experience authentic and open inquiry processes, by defining which themes, questions and approaches will guide their scientific endeavors. In this study, we analyzed data from over 5,000 projects presented at a nationwide science fair in Brazil over the past 20 years using topic modeling to identify the main topics that have driven students' inquiry and design. Our analysis identified a broad range of topics being explored, with significant variations over time, region, and school setting. We argue those results and proposed methodology can not only support further research in the context of science fairs, but also inform instruction and design of contexts-specific resources to support students in open inquiry experiences in different settings.

We introduce a new type of test, called a Turing Experiment (TE), for evaluating how well a language model, such as GPT-3, can simulate different aspects of human behavior. Unlike the Turing Test, which involves simulating a single arbitrary individual, a TE requires simulating a representative sample of participants in human subject research. We give TEs that attempt to replicate well-established findings in prior studies. We design a methodology for simulating TEs and illustrate its use to compare how well different language models are able to reproduce classic economic, psycholinguistic, and social psychology experiments: Ultimatum Game, Garden Path Sentences, Milgram Shock Experiment, and Wisdom of Crowds. In the first three TEs, the existing findings were replicated using recent models, while the last TE reveals a "hyper-accuracy distortion" present in some language models.

In this report, we survey Bayesian Optimization methods focussed on the Multi-Armed Bandit Problem. We take the help of the paper "Portfolio Allocation for Bayesian Optimization". We report a small literature survey on the acquisition functions and the types of portfolio strategies used in papers discussing Bayesian Optimization. We also replicate the experiments and report our findings and compare them to the results in the paper. Code link: https://colab.research.google.com/drive/1GZ14klEDoe3dcBeZKo5l8qqrKf_GmBDn?usp=sharing#scrollTo=XgIBau3O45_V.

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

Evaluations are critical for understanding the capabilities of large language models (LLMs). Fundamentally, evaluations are experiments; but the literature on evaluations has largely ignored the literature from other sciences on experiment analysis and planning. This article shows researchers with some training in statistics how to think about and analyze data from language model evaluations. Conceptualizing evaluation questions as having been drawn from an unseen super-population, we present formulas for analyzing evaluation data, measuring differences between two models, and planning an evaluation experiment. We make a number of specific recommendations for running language model evaluations and reporting experiment results in a way that minimizes statistical noise and maximizes informativeness.

We find that, simply via a sampling-and-voting method, the performance of large language models (LLMs) scales with the number of agents instantiated. Also, this method is orthogonal to existing complicated methods to further enhance LLMs, while the degree of enhancement is correlated to the task difficulty. We conduct comprehensive experiments on a wide range of LLM benchmarks to verify the presence of our finding, and to study the properties that can facilitate its occurrence. Our code is publicly available at: https://anonymous.4open.science/r/more_agent_is_all_you_need.

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. Recently, a plethora of new AI models and tools has been proposed, promising to empower researchers and academics worldwide to conduct their research more effectively and efficiently. This includes all aspects of the research cycle, especially (1) searching for relevant literature; (2) generating research ideas and conducting experimentation; generating (3) text-based and (4) multimodal content (e.g., scientific figures and diagrams); and (5) AI-based automatic peer review. In this survey, we provide an in-depth overview over these exciting recent developments, which promise to fundamentally alter the scientific research process for good. Our survey covers the five aspects outlined above, indicating relevant datasets, methods and results (including evaluation) as well as limitations and scope for future research. Ethical concerns regarding shortcomings of these tools and potential for misuse (fake science, plagiarism, harms to research integrity) take a particularly prominent place in our discussion. We hope that our survey will not only become a reference guide for newcomers to the field but also a catalyst for new AI-based initiatives in the area of "AI4Science".

Researchers spend a great deal of time reading research papers. Keshav (2012) provides a three-pass method to researchers to improve their reading skills. This article extends Keshav's method for reading a research compendium. Research compendia are an increasingly used form of publication, which packages not only the research paper's text and figures, but also all data and software for better reproducibility. We introduce the existing conventions for research compendia and suggest how to utilise their shared properties in a structured reading process. Unlike the original, this article is not build upon a long history but intends to provide guidance at the outset of an emerging practice.

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in physical scientific discovery. Conversely, human scientists undertake scientific discovery by formulating hypotheses, conducting experiments, and revising theories through observational analysis. Inspired by this, we propose to enhance the knowledge-driven, abstract reasoning abilities of LLMs with the computational strength of simulations. We introduce Scientific Generative Agent (SGA), a bilevel optimization framework: LLMs act as knowledgeable and versatile thinkers, proposing scientific hypotheses and reason about discrete components, such as physics equations or molecule structures; meanwhile, simulations function as experimental platforms, providing observational feedback and optimizing via differentiability for continuous parts, such as physical parameters. We conduct extensive experiments to demonstrate our framework's efficacy in constitutive law discovery and molecular design, unveiling novel solutions that differ from conventional human expectations yet remain coherent upon analysis.

Aligned instruction following models can better fulfill user requests than their unaligned counterparts. However, it has been shown that there is a length bias in evaluation of such models, and that training algorithms tend to exploit this bias by learning longer responses. In this work we show how to train models that can be controlled at inference time with instructions containing desired length constraints. Such models are superior in length instructed evaluations, outperforming standard instruction following models such as GPT4, Llama 3 and Mixtral.

Given the impressive capabilities of recent Large Language Models (LLMs), we investigate and benchmark the most popular proprietary and different sized open source models on the task of explicit instruction following in conflicting situations, e.g. overrides. These include the ability of the model to override the knowledge within the weights of the model, the ability to override (or moderate) extracted knowledge in the prompt, and lastly the ability to perform a full jailbreak. Experimentation performed suggest several key findings to improve instruction following - larger models perform the best in following instructions that override internal and contextual instructions, and are obedient, even to a fault. When scaling to longer contexts via rope scaling, a significant buffer needs to be maintained from the edge of the perplexity cliff in order to maintain instruction following capabilities. Finally, we observe improving instruction following, and subsequently instruction overrides/jailbreaks, is fundamentally at odds with the ability of a language model to follow given safety filters or guidelines. Thus, we postulate the most effective approach for safe, trustworthy AI should be dealt external to the LLM itself.

Humans can learn a variety of concepts and skills incrementally over the course of their lives while exhibiting many desirable properties, such as continual learning without forgetting, forward transfer and backward transfer of knowledge, and learning a new concept or task with only a few examples. Several lines of machine learning research, such as lifelong machine learning, few-shot learning, and transfer learning attempt to capture these properties. However, most previous approaches can only demonstrate subsets of these properties, often by different complex mechanisms. In this work, we propose a simple yet powerful unified deep learning framework that supports almost all of these properties and approaches through one central mechanism. Experiments on toy examples support our claims. We also draw connections between many peculiarities of human learning (such as memory loss and "rain man") and our framework. As academics, we often lack resources required to build and train, deep neural networks with billions of parameters on hundreds of TPUs. Thus, while our framework is still conceptual, and our experiment results are surely not SOTA, we hope that this unified lifelong learning framework inspires new work towards large-scale experiments and understanding human learning in general. This paper is summarized in two short YouTube videos: https://youtu.be/gCuUyGETbTU (part 1) and https://youtu.be/XsaGI01b-1o (part 2).

Understanding causality should be a core requirement of any attempt to build real impact through AI. Due to the inherent unobservability of counterfactuals, large randomised trials (RCTs) are the standard for causal inference. But large experiments are generically expensive, and randomisation carries its own costs, e.g. when suboptimal decisions are trialed. Recent work has proposed more sample-efficient alternatives to RCTs, but these are not adaptable to the downstream application for which the causal effect is sought. In this work, we develop a task-specific approach to experimental design and derive sampling strategies customised to particular downstream applications. Across a range of important tasks, real-world datasets, and sample sizes, our method outperforms other benchmarks, e.g. requiring an order-of-magnitude less data to match RCT performance on targeted marketing tasks.

Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.

In lifelong learning, an agent learns throughout its entire life without resets, in a constantly changing environment, as we humans do. Consequently, lifelong learning comes with a plethora of research problems such as continual domain shifts, which result in non-stationary rewards and environment dynamics. These non-stationarities are difficult to detect and cope with due to their continuous nature. Therefore, exploration strategies and learning methods are required that are capable of tracking the steady domain shifts, and adapting to them. We propose Reactive Exploration to track and react to continual domain shifts in lifelong reinforcement learning, and to update the policy correspondingly. To this end, we conduct experiments in order to investigate different exploration strategies. We empirically show that representatives of the policy-gradient family are better suited for lifelong learning, as they adapt more quickly to distribution shifts than Q-learning. Thereby, policy-gradient methods profit the most from Reactive Exploration and show good results in lifelong learning with continual domain shifts. Our code is available at: https://github.com/ml-jku/reactive-exploration.

It is imperative for Large language models (LLMs) to follow instructions with elaborate requirements (i.e. Complex Instructions Following). Yet, it remains under-explored how to enhance the ability of LLMs to follow complex instructions with multiple constraints. To bridge the gap, we initially study what training data is effective in enhancing complex constraints following abilities. We found that training LLMs with instructions containing multiple constraints enhances their understanding of complex instructions, especially those with lower complexity levels. The improvement can even generalize to compositions of out-of-domain constraints. Additionally, we further propose methods addressing how to obtain and utilize the effective training data. Finally, we conduct extensive experiments to prove the effectiveness of our methods in terms of overall performance and training efficiency. We also demonstrate that our methods improve models' ability to follow instructions generally and generalize effectively across out-of-domain, in-domain, and adversarial settings, while maintaining general capabilities.

We extend Textual Inversion to learn pseudo-words that represent a concept at different resolutions. This allows us to generate images that use the concept with different levels of detail and also to manipulate different resolutions using language. Once learned, the user can generate images at different levels of agreement to the original concept; "A photo of S^*(0)" produces the exact object while the prompt "A photo of S^*(0.8)" only matches the rough outlines and colors. Our framework allows us to generate images that use different resolutions of an image (e.g. details, textures, styles) as separate pseudo-words that can be composed in various ways. We open-soure our code in the following URL: https://github.com/giannisdaras/multires_textual_inversion

Recent advancements in large language models (LLMs) with extended context windows have significantly improved tasks such as information extraction, question answering, and complex planning scenarios. In order to achieve success in long context tasks, a large amount of work has been done to enhance the long context capabilities of the model through synthetic data. Existing methods typically utilize the Self-Instruct framework to generate instruction tuning data for better long context capability improvement. However, our preliminary experiments indicate that less than 35% of generated samples are multi-hop, and more than 40% exhibit poor quality, limiting comprehensive understanding and further research. To improve the quality of synthetic data, we propose the Multi-agent Interactive Multi-hop Generation (MIMG) framework, incorporating a Quality Verification Agent, a Single-hop Question Generation Agent, a Multiple Question Sampling Strategy, and a Multi-hop Question Merger Agent. This framework improves the data quality, with the proportion of high-quality, multi-hop, and diverse data exceeding 85%. Furthermore, we systematically investigate strategies for document selection, question merging, and validation techniques through extensive experiments across various models. Our findings show that our synthetic high-quality long-context instruction data significantly enhances model performance, even surpassing models trained on larger amounts of human-annotated data. Our code is available at: https://github.com/WowCZ/LongMIT.

The BigScience Workshop was a value-driven initiative that spanned one and half years of interdisciplinary research and culminated in the creation of ROOTS, a 1.6TB multilingual dataset that was used to train BLOOM, one of the largest multilingual language models to date. In addition to the technical outcomes and artifacts, the workshop fostered multidisciplinary collaborations around large models, datasets, and their analysis. This in turn led to a wide range of research publications spanning topics from ethics to law, data governance, modeling choices and distributed training. This paper focuses on the collaborative research aspects of BigScience and takes a step back to look at the challenges of large-scale participatory research, with respect to participant diversity and the tasks required to successfully carry out such a project. Our main goal is to share the lessons we learned from this experience, what we could have done better and what we did well. We show how the impact of such a social approach to scientific research goes well beyond the technical artifacts that were the basis of its inception.

We introduce Augmented Physics, a machine learning-integrated authoring tool designed for creating embedded interactive physics simulations from static textbook diagrams. Leveraging recent advancements in computer vision, such as Segment Anything and Multi-modal LLMs, our web-based system enables users to semi-automatically extract diagrams from physics textbooks and generate interactive simulations based on the extracted content. These interactive diagrams are seamlessly integrated into scanned textbook pages, facilitating interactive and personalized learning experiences across various physics concepts, such as optics, circuits, and kinematics. Drawing from an elicitation study with seven physics instructors, we explore four key augmentation strategies: 1) augmented experiments, 2) animated diagrams, 3) bi-directional binding, and 4) parameter visualization. We evaluate our system through technical evaluation, a usability study (N=12), and expert interviews (N=12). Study findings suggest that our system can facilitate more engaging and personalized learning experiences in physics education.

Instruction tuning has been widely adopted to ensure large language models (LLMs) follow user instructions effectively. The resulting instruction-following capabilities of LLMs heavily rely on the instruction datasets used for tuning. Recently, synthetic instruction datasets have emerged as an economically viable solution to provide LLMs diverse and high-quality instructions. However, existing approaches typically assume that larger or stronger models are stronger teachers for instruction tuning, and hence simply adopt these models as response generators to the synthetic instructions. In this paper, we challenge this commonly-adopted assumption. Our extensive experiments across five base models and twenty response generators reveal that larger and stronger models are not necessarily stronger teachers of smaller models. We refer to this phenomenon as the Larger Models' Paradox. We observe that existing metrics cannot precisely predict the effectiveness of response generators since they ignore the compatibility between teachers and base models being fine-tuned. We thus develop a novel metric, named as Compatibility-Adjusted Reward (CAR) to measure the effectiveness of response generators. Our experiments across five base models demonstrate that CAR outperforms almost all baselines.

Recently, there has been growing interest in extending the context length of instruction-following models in order to effectively process single-turn long input (e.g. summarizing a paper) and conversations with more extensive histories. While proprietary models such as GPT-4 and Claude have demonstrated considerable advancements in handling tens of thousands of tokens of context, open-sourced models are still in the early stages of experimentation. It also remains unclear whether developing these long context models can offer substantial gains on practical downstream tasks over retrieval-based methods or models simply trained on chunked contexts. To address this challenge, we propose to institute standardized evaluation for long context language models. Concretely, we develop L-Eval which contains 411 long documents and over 2,000 query-response pairs manually annotated and checked by the authors encompassing areas such as law, finance, school lectures, lengthy conversations, news, long-form novels, and meetings. L-Eval also adopts diverse evaluation methods and instruction styles, enabling a more reliable assessment of Long Context Language Models (LCLMs). Our findings indicate that while open-source models typically lag behind their commercial counterparts, they still exhibit impressive performance. LLaMA2 achieves the best results (win 45\% vs turbo-16k) on open-ended tasks with only 4k context length and ChatGLM2 achieves the best results on closed-ended tasks with 8k input tokens. We release our new evaluation suite, code, and all generation results including predictions from all open-sourced LCLMs, GPT4-32k, Cluade-100k at {https://github.com/OpenLMLab/LEval}.

In molecular research, simulation \& design of molecules are key areas with significant implications for drug development, material science, and other fields. Current classical computational power falls inadequate to simulate any more than small molecules, let alone protein chains on hundreds of peptide. Therefore these experiment are done physically in wet-lab, but it takes a lot of time \& not possible to examine every molecule due to the size of the search area, tens of billions of dollars are spent every year in these research experiments. Molecule simulation \& design has lately advanced significantly by machine learning models, A fresh perspective on the issue of chemical synthesis is provided by deep generative models for graph-structured data. By optimising differentiable models that produce molecular graphs directly, it is feasible to avoid costly search techniques in the discrete and huge space of chemical structures. But these models also suffer from computational limitations when dimensions become huge and consume huge amount of resources. Quantum Generative machine learning in recent years have shown some empirical results promising significant advantages over classical counterparts.

We describe new datasets for studying generalization from easy to hard examples.

This paper studies the problem of solving complex chemistry problems with large language models (LLMs). Despite the extensive general knowledge in LLMs (such as GPT-4), they struggle with chemistry reasoning that requires faithful grounded reasoning with diverse chemical knowledge and an integrative understanding of chemical interactions. We propose InstructChem, a new structured reasoning approach that substantially boosts the LLMs' chemical reasoning capabilities. InstructChem explicitly decomposes the reasoning into three critical phrases, including chemical formulae generation by LLMs that offers the basis for subsequent grounded reasoning, step-by-step reasoning that makes multi-step derivations with the identified formulae for a preliminary answer, and iterative review-and-refinement that steers LLMs to progressively revise the previous phases for increasing confidence, leading to the final high-confidence answer. We conduct extensive experiments on four different chemistry challenges, including quantum chemistry, quantum mechanics, physical chemistry, and chemistry kinetics. Our approach significantly enhances GPT-4 on chemistry reasoning, yielding an 8% average absolute improvement and a 30% peak improvement. We further use the generated reasoning by GPT-4 to fine-tune smaller LMs (e.g., Vicuna) and observe strong improvement of the smaller LMs. This validates our approach and enables LLMs to generate high-quality reasoning.

How do we most effectively treat a disease or condition? Ideally, we could consult a database of evidence gleaned from clinical trials to answer such questions. Unfortunately, no such database exists; clinical trial results are instead disseminated primarily via lengthy natural language articles. Perusing all such articles would be prohibitively time-consuming for healthcare practitioners; they instead tend to depend on manually compiled systematic reviews of medical literature to inform care. NLP may speed this process up, and eventually facilitate immediate consult of published evidence. The Evidence Inference dataset was recently released to facilitate research toward this end. This task entails inferring the comparative performance of two treatments, with respect to a given outcome, from a particular article (describing a clinical trial) and identifying supporting evidence. For instance: Does this article report that chemotherapy performed better than surgery for five-year survival rates of operable cancers? In this paper, we collect additional annotations to expand the Evidence Inference dataset by 25\%, provide stronger baseline models, systematically inspect the errors that these make, and probe dataset quality. We also release an abstract only (as opposed to full-texts) version of the task for rapid model prototyping. The updated corpus, documentation, and code for new baselines and evaluations are available at http://evidence-inference.ebm-nlp.com/.

While recent generative models can produce engaging music, their utility is limited. The variation in the music is often left to chance, resulting in compositions that lack structure. Pieces extending beyond a minute can become incoherent or repetitive. This paper introduces an approach for generating structured, arbitrarily long musical pieces. Central to this approach is the creation of musical segments using a conditional generative model, with transitions between these segments. The generation of prompts that determine the high-level composition is distinct from the creation of finer, lower-level details. A large language model is then used to suggest the musical form.

We present a generic framework for creating differentially private versions of any hypothesis test in a black-box way. We analyze the resulting tests analytically and experimentally. Most crucially, we show good practical performance for small data sets, showing that at epsilon = 1 we only need 5-6 times as much data as in the fully public setting. We compare our work to the one existing framework of this type, as well as to several individually-designed private hypothesis tests. Our framework is higher power than other generic solutions and at least competitive with (and often better than) individually-designed tests.

This paper studies the impact of artificial intelligence on innovation, exploiting the randomized introduction of a new materials discovery technology to 1,018 scientists in the R&D lab of a large U.S. firm. AI-assisted researchers discover 44% more materials, resulting in a 39% increase in patent filings and a 17% rise in downstream product innovation. These compounds possess more novel chemical structures and lead to more radical inventions. However, the technology has strikingly disparate effects across the productivity distribution: while the bottom third of scientists see little benefit, the output of top researchers nearly doubles. Investigating the mechanisms behind these results, I show that AI automates 57% of "idea-generation" tasks, reallocating researchers to the new task of evaluating model-produced candidate materials. Top scientists leverage their domain knowledge to prioritize promising AI suggestions, while others waste significant resources testing false positives. Together, these findings demonstrate the potential of AI-augmented research and highlight the complementarity between algorithms and expertise in the innovative process. Survey evidence reveals that these gains come at a cost, however, as 82% of scientists report reduced satisfaction with their work due to decreased creativity and skill underutilization.

"An idea is nothing more nor less than a new combination of old elements" (Young, J.W.). The widespread adoption of Large Language Models (LLMs) and publicly available ChatGPT have marked a significant turning point in the integration of Artificial Intelligence (AI) into people's everyday lives. This study explores the capability of LLMs in generating novel research ideas based on information from research papers. We conduct a thorough examination of 4 LLMs in five domains (e.g., Chemistry, Computer, Economics, Medical, and Physics). We found that the future research ideas generated by Claude-2 and GPT-4 are more aligned with the author's perspective than GPT-3.5 and Gemini. We also found that Claude-2 generates more diverse future research ideas than GPT-4, GPT-3.5, and Gemini 1.0. We further performed a human evaluation of the novelty, relevancy, and feasibility of the generated future research ideas. This investigation offers insights into the evolving role of LLMs in idea generation, highlighting both its capability and limitations. Our work contributes to the ongoing efforts in evaluating and utilizing language models for generating future research ideas. We make our datasets and codes publicly available.

Activation patching is a popular mechanistic interpretability technique, but has many subtleties regarding how it is applied and how one may interpret the results. We provide a summary of advice and best practices, based on our experience using this technique in practice. We include an overview of the different ways to apply activation patching and a discussion on how to interpret the results. We focus on what evidence patching experiments provide about circuits, and on the choice of metric and associated pitfalls.

Instruction-tuning can be substantially optimized through enhanced diversity, resulting in models capable of handling a broader spectrum of tasks. However, existing data employed for such tuning often exhibit an inadequate coverage of individual domains, limiting the scope for nuanced comprehension and interactions within these areas. To address this deficiency, we propose Explore-Instruct, a novel approach to enhance the data coverage to be used in domain-specific instruction-tuning through active exploration via Large Language Models (LLMs). Built upon representative domain use cases, Explore-Instruct explores a multitude of variations or possibilities by implementing a search algorithm to obtain diversified and domain-focused instruction-tuning data. Our data-centric analysis validates the effectiveness of this proposed approach in improving domain-specific instruction coverage. Moreover, our model's performance demonstrates considerable advancements over multiple baselines, including those utilizing domain-specific data enhancement. Our findings offer a promising opportunity to improve instruction coverage, especially in domain-specific contexts, thereby advancing the development of adaptable language models. Our code, model weights, and data are public at https://github.com/fanqiwan/Explore-Instruct.

The existing search tools for exploring the NASA Astrophysics Data System (ADS) can be quite rich and empowering (e.g., similar and trending operators), but researchers are not yet allowed to fully leverage semantic search. For example, a query for "results from the Planck mission" should be able to distinguish between all the various meanings of Planck (person, mission, constant, institutions and more) without further clarification from the user. At ADS, we are applying modern machine learning and natural language processing techniques to our dataset of recent astronomy publications to train astroBERT, a deeply contextual language model based on research at Google. Using astroBERT, we aim to enrich the ADS dataset and improve its discoverability, and in particular we are developing our own named entity recognition tool. We present here our preliminary results and lessons learned.

We advocate for a strong integration of Computational Creativity (CC) with research in large language and vision models (LLVMs) to address a key limitation of these models, i.e., creative problem solving. We present preliminary experiments showing how CC principles can be applied to address this limitation. Our goal is to foster discussions on creative problem solving in LLVMs and CC at prestigious ML venues. Our code is available at: https://github.com/lnairGT/creative-problem-solving-LLMs

The exploration of thermoelectric materials is challenging considering the large materials space, combined with added exponential degrees of freedom coming from doping and the diversity of synthetic pathways. Here we seek to incorporate historical data and update and refine it using experimental feedback by employing error-correction learning (ECL). We thus learn from prior datasets and then adapt the model to differences in synthesis and characterization that are otherwise difficult to parameterize. We then apply this strategy to discovering thermoelectric materials where we prioritize synthesis at temperatures < 300{\deg}C. We document a previously unreported chemical family of thermoelectric materials, PbSe:SnSb, finding that the best candidate in this chemical family, 2 wt% SnSb doped PbSe, exhibits a power factor more than 2x that of PbSe. Our investigations show that our closed-loop experimentation strategy reduces the required number of experiments to find an optimized material by as much as 3x compared to high-throughput searches powered by state-of-the-art machine learning models. We also observe that this improvement is dependent on the accuracy of prior in a manner that exhibits diminishing returns, and after a certain accuracy is reached, it is factors associated with experimental pathways that dictate the trends.

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

We present SciRIFF (Scientific Resource for Instruction-Following and Finetuning), a dataset of 137K instruction-following demonstrations for 54 tasks covering five essential scientific literature understanding capabilities: information extraction, summarization, question answering, claim verification, and classification. SciRIFF demonstrations are notable for their long input contexts, detailed task specifications, and complex structured outputs. While instruction-following resources are available in specific domains such as clinical medicine and chemistry, SciRIFF is the first dataset focused on extracting and synthesizing information from research literature across a wide range of scientific fields. To demonstrate the utility of SciRIFF, we develop a sample-efficient strategy to adapt a general instruction-following model for science by performing additional finetuning on a mix of general-domain and SciRIFF demonstrations. In evaluations on nine held-out scientific tasks, our model -- called SciTulu -- improves over a strong LLM baseline by 28.1% and 6.5% at the 7B and 70B scales respectively, while maintaining general instruction-following performance within 2% of the baseline. We are optimistic that SciRIFF will facilitate the development and evaluation of LLMs to help researchers navigate the ever-growing body of scientific literature. We release our dataset, model checkpoints, and data processing and evaluation code to enable further research.

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

Understanding the origin(s) of life (OoL) is a fundamental challenge for science in the 21st century. Research on OoL spans many disciplines, including chemistry, physics, biology, planetary sciences, computer science, mathematics and philosophy. The sheer number of different scientific perspectives relevant to the problem has resulted in the coexistence of diverse tools, techniques, data, and software in OoL studies. This has made communication between the disciplines relevant to the OoL extremely difficult because the interpretation of data, analyses, or standards of evidence can vary dramatically. Here, we hope to bridge this wide field of study by providing common ground via the consolidation of tools and techniques rather than positing a unifying view on how life emerges. We review the common tools and techniques that have been used significantly in OoL studies in recent years. In particular, we aim to identify which information is most relevant for comparing and integrating the results of experimental analyses into mathematical and computational models. This review aims to provide a baseline expectation and understanding of technical aspects of origins research, rather than being a primer on any particular topic. As such, it spans broadly -- from analytical chemistry to mathematical models -- and highlights areas of future work that will benefit from a multidisciplinary approach to tackling the mystery of life's origin. Ultimately, we hope to empower a new generation of OoL scientists by reviewing how they can investigate life's origin, rather than dictating how to think about the problem.

Pre-trained language models demonstrate general intelligence and common sense, but long inputs quickly become a bottleneck for memorizing information at inference time. We resurface a simple method, Memorizing Transformers (Wu et al., 2022), that gives the model access to a bank of pre-computed memories. We show that it is possible to fix many of the shortcomings of the original method, such as the need for fine-tuning, by critically assessing how positional encodings should be updated for the keys and values retrieved. This intuitive method uses the model's own key/query system to select and attend to the most relevant memories at each generation step, rather than using external embeddings. We demonstrate the importance of external information being retrieved in a majority of decoder layers, contrary to previous work. We open source a new counterfactual long-range retrieval benchmark, and show that Extended Mind Transformers outperform today's state of the art by 6% on average.

Extended reality (XR) devices such as the Meta Quest and Apple Vision Pro have seen a recent surge in attention, with motion tracking "telemetry" data lying at the core of nearly all XR and metaverse experiences. Researchers are just beginning to understand the implications of this data for security, privacy, usability, and more, but currently lack large-scale human motion datasets to study. The BOXRR-23 dataset contains 4,717,215 motion capture recordings, voluntarily submitted by 105,852 XR device users from over 50 countries. BOXRR-23 is over 200 times larger than the largest existing motion capture research dataset and uses a new, highly efficient purpose-built XR Open Recording (XROR) file format.

This research enhances linear regression models by integrating a Kalman filter and analysing curve areas to minimize loss. The goal is to develop an optimal linear regression equation using stochastic gradient descent (SGD) for weight updating. Our approach involves a stepwise process, starting with user-defined parameters. The linear regression model is trained using SGD, tracking weights and loss separately and zipping them finally. A Kalman filter is then trained based on weight and loss arrays to predict the next consolidated weights. Predictions result from multiplying input averages with weights, evaluated for loss to form a weight-versus-loss curve. The curve's equation is derived using the two-point formula, and area under the curve is calculated via integration. The linear regression equation with minimum area becomes the optimal curve for prediction. Benefits include avoiding constant weight updates via gradient descent and working with partial datasets, unlike methods needing the entire set. However, computational complexity should be considered. The Kalman filter's accuracy might diminish beyond a certain prediction range.

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by powerful language models perform machine learning experimentation effectively? To answer this question, we introduce MLAgentBench, a suite of 13 tasks ranging from improving model performance on CIFAR-10 to recent research problems like BabyLM. For each task, an agent can perform actions like reading/writing files, executing code, and inspecting outputs. We then construct an agent that can perform ML experimentation based on ReAct framework. We benchmark agents based on Claude v1.0, Claude v2.1, Claude v3 Opus, GPT-4, GPT-4-turbo, Gemini-Pro, and Mixtral and find that a Claude v3 Opus agent is the best in terms of success rate. It can build compelling ML models over many tasks in MLAgentBench with 37.5% average success rate. Our agents also display highly interpretable plans and actions. However, the success rates vary considerably; they span from 100% on well-established older datasets to as low as 0% on recent Kaggle challenges created potentially after the underlying LM was trained. Finally, we identify several key challenges for LM-based agents such as long-term planning and reducing hallucination. Our code is released at https://github.com/snap-stanford/MLAgentBench.

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

In an industrial group like Safran, numerical simulations of physical phenomena are integral to most design processes. At Safran's corporate research center, we enhance these processes by developing fast and reliable surrogate models for various physics. We focus here on two technologies developed in recent years. The first is a physical reduced-order modeling method for non-linear structural mechanics and thermal analysis, used for calculating the lifespan of high-pressure turbine blades and performing heat analysis of high-pressure compressors. The second technology involves learning physics simulations with non-parameterized geometrical variability using classical machine learning tools, such as Gaussian process regression. Finally, we present our contributions to the open-source and open-data community.

Extending context windows (i.e., Long Context, LC) and using retrievers to selectively access relevant information (i.e., Retrieval-Augmented Generation, RAG) are the two main strategies to enable LLMs to incorporate extremely long external contexts. This paper revisits recent studies on this topic, highlighting their key insights and discrepancies. We then provide a more comprehensive evaluation by filtering out questions answerable without external context, identifying the most effective retrieval methods, and expanding the datasets. We show that LC generally outperforms RAG in question-answering benchmarks, especially for Wikipedia-based questions. Summarization-based retrieval performs comparably to LC, while chunk-based retrieval lags behind. However, RAG has advantages in dialogue-based and general question queries. These insights underscore the trade-offs between RAG and LC strategies, offering guidance for future optimization of LLMs with external knowledge sources. We also provide an in-depth discussion on this topic, highlighting the overlooked importance of context relevance in existing studies.

We study the problem of extrapolative controlled generation, i.e., generating sequences with attribute values beyond the range seen in training. This task is of significant importance in automated design, especially drug discovery, where the goal is to design novel proteins that are better (e.g., more stable) than existing sequences. Thus, by definition, the target sequences and their attribute values are out of the training distribution, posing challenges to existing methods that aim to directly generate the target sequence. Instead, in this work, we propose Iterative Controlled Extrapolation (ICE) which iteratively makes local edits to a sequence to enable extrapolation. We train the model on synthetically generated sequence pairs that demonstrate small improvement in the attribute value. Results on one natural language task (sentiment analysis) and two protein engineering tasks (ACE2 stability and AAV fitness) show that ICE considerably outperforms state-of-the-art approaches despite its simplicity. Our code and models are available at: https://github.com/vishakhpk/iter-extrapolation.

We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and configure a variety of different optical experiments, while the runtime environment provides unique capabilities for visualization and analysis. All standard linear optical components are available as well as sources of thermal, coherent, and entangled Gaussian states. A unique aspect of VQOL is the introduction of non-Gaussian measurements using detectors modeled as deterministic devices that "click" when the amplitude of the light falls above a given threshold. We describe the underlying theoretical models and provide several illustrative examples. We find that VQOL provides a a faithful representation of many experimental quantum optics phenomena and may serve as both a useful instructional tool for students as well as a valuable research tool for practitioners.

Recent advancements have positioned AI, and particularly Large Language Models (LLMs), as transformative tools for scientific research, capable of addressing complex tasks that require reasoning, problem-solving, and decision-making. Their exceptional capabilities suggest their potential as scientific research assistants but also highlight the need for holistic, rigorous, and domain-specific evaluation to assess effectiveness in real-world scientific applications. This paper describes a multifaceted methodology for Evaluating AI models as scientific Research Assistants (EAIRA) developed at Argonne National Laboratory. This methodology incorporates four primary classes of evaluations. 1) Multiple Choice Questions to assess factual recall; 2) Open Response to evaluate advanced reasoning and problem-solving skills; 3) Lab-Style Experiments involving detailed analysis of capabilities as research assistants in controlled environments; and 4) Field-Style Experiments to capture researcher-LLM interactions at scale in a wide range of scientific domains and applications. These complementary methods enable a comprehensive analysis of LLM strengths and weaknesses with respect to their scientific knowledge, reasoning abilities, and adaptability. Recognizing the rapid pace of LLM advancements, we designed the methodology to evolve and adapt so as to ensure its continued relevance and applicability. This paper describes the methodology state at the end of February 2025. Although developed within a subset of scientific domains, the methodology is designed to be generalizable to a wide range of scientific domains.

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas. Despite this, no evaluations have shown that LLM systems can take the very first step of producing novel, expert-level ideas, let alone perform the entire research process. We address this by establishing an experimental design that evaluates research idea generation while controlling for confounders and performs the first head-to-head comparison between expert NLP researchers and an LLM ideation agent. By recruiting over 100 NLP researchers to write novel ideas and blind reviews of both LLM and human ideas, we obtain the first statistically significant conclusion on current LLM capabilities for research ideation: we find LLM-generated ideas are judged as more novel (p < 0.05) than human expert ideas while being judged slightly weaker on feasibility. Studying our agent baselines closely, we identify open problems in building and evaluating research agents, including failures of LLM self-evaluation and their lack of diversity in generation. Finally, we acknowledge that human judgements of novelty can be difficult, even by experts, and propose an end-to-end study design which recruits researchers to execute these ideas into full projects, enabling us to study whether these novelty and feasibility judgements result in meaningful differences in research outcome.

Keeping track of scientific challenges, advances and emerging directions is a fundamental part of research. However, researchers face a flood of papers that hinders discovery of important knowledge. In biomedicine, this directly impacts human lives. To address this problem, we present a novel task of extraction and search of scientific challenges and directions, to facilitate rapid knowledge discovery. We construct and release an expert-annotated corpus of texts sampled from full-length papers, labeled with novel semantic categories that generalize across many types of challenges and directions. We focus on a large corpus of interdisciplinary work relating to the COVID-19 pandemic, ranging from biomedicine to areas such as AI and economics. We apply a model trained on our data to identify challenges and directions across the corpus and build a dedicated search engine. In experiments with 19 researchers and clinicians using our system, we outperform a popular scientific search engine in assisting knowledge discovery. Finally, we show that models trained on our resource generalize to the wider biomedical domain and to AI papers, highlighting its broad utility. We make our data, model and search engine publicly available. https://challenges.apps.allenai.org/

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by improving data analysis, accelerating computation, and fostering novel idea generation. To further move towards the ultimate goal (i.e., automatic scientific research), in this paper, we propose Dolphin, the first closed-loop open-ended auto-research framework to further build the entire process of human scientific research. Dolphin can generate research ideas, perform experiments, and get feedback from experimental results to generate higher-quality ideas. More specifically, Dolphin first generates novel ideas based on relevant papers which are ranked by the topic and task attributes. Then, the codes are automatically generated and debugged with the exception-traceback-guided local code structure. Finally, Dolphin automatically analyzes the results of each idea and feeds the results back to the next round of idea generation. Experiments are conducted on the benchmark datasets of different topics and results show that Dolphin can generate novel ideas continuously and complete the experiment in a loop. We highlight that Dolphin can automatically propose methods that are comparable to the state-of-the-art in some tasks such as 2D image classification and 3D point classification.

In the 1990s, the constant error carousel and gating were introduced as the central ideas of the Long Short-Term Memory (LSTM). Since then, LSTMs have stood the test of time and contributed to numerous deep learning success stories, in particular they constituted the first Large Language Models (LLMs). However, the advent of the Transformer technology with parallelizable self-attention at its core marked the dawn of a new era, outpacing LSTMs at scale. We now raise a simple question: How far do we get in language modeling when scaling LSTMs to billions of parameters, leveraging the latest techniques from modern LLMs, but mitigating known limitations of LSTMs? Firstly, we introduce exponential gating with appropriate normalization and stabilization techniques. Secondly, we modify the LSTM memory structure, obtaining: (i) sLSTM with a scalar memory, a scalar update, and new memory mixing, (ii) mLSTM that is fully parallelizable with a matrix memory and a covariance update rule. Integrating these LSTM extensions into residual block backbones yields xLSTM blocks that are then residually stacked into xLSTM architectures. Exponential gating and modified memory structures boost xLSTM capabilities to perform favorably when compared to state-of-the-art Transformers and State Space Models, both in performance and scaling.

Virtual Try-On (VTON) is a highly active line of research, with increasing demand. It aims to replace a piece of garment in an image with one from another, while preserving person and garment characteristics as well as image fidelity. Current literature takes a supervised approach for the task, impairing generalization and imposing heavy computation. In this paper, we present a novel zero-shot training-free method for inpainting a clothing garment by reference. Our approach employs the prior of a diffusion model with no additional training, fully leveraging its native generalization capabilities. The method employs extended attention to transfer image information from reference to target images, overcoming two significant challenges. We first initially warp the reference garment over the target human using deep features, alleviating "texture sticking". We then leverage the extended attention mechanism with careful masking, eliminating leakage of reference background and unwanted influence. Through a user study, qualitative, and quantitative comparison to state-of-the-art approaches, we demonstrate superior image quality and garment preservation compared unseen clothing pieces or human figures.

Versatile and adaptive semantic understanding would enable autonomous systems to comprehend and interact with their surroundings. Existing fixed-class models limit the adaptability of indoor mobile and assistive autonomous systems. In this work, we introduce LEXIS, a real-time indoor Simultaneous Localization and Mapping (SLAM) system that harnesses the open-vocabulary nature of Large Language Models (LLMs) to create a unified approach to scene understanding and place recognition. The approach first builds a topological SLAM graph of the environment (using visual-inertial odometry) and embeds Contrastive Language-Image Pretraining (CLIP) features in the graph nodes. We use this representation for flexible room classification and segmentation, serving as a basis for room-centric place recognition. This allows loop closure searches to be directed towards semantically relevant places. Our proposed system is evaluated using both public, simulated data and real-world data, covering office and home environments. It successfully categorizes rooms with varying layouts and dimensions and outperforms the state-of-the-art (SOTA). For place recognition and trajectory estimation tasks we achieve equivalent performance to the SOTA, all also utilizing the same pre-trained model. Lastly, we demonstrate the system's potential for planning.

Neural networks have a number of shortcomings. Amongst the severest ones is the sensitivity to distribution shifts which allows models to be easily fooled into wrong predictions by small perturbations to inputs that are often imperceivable to humans and do not have to carry semantic meaning. Adversarial training poses a partial solution to address this issue by training models on worst-case perturbations. Yet, recent work has also pointed out that the reasoning in neural networks is different from humans. Humans identify objects by shape, while neural nets mainly employ texture cues. Exemplarily, a model trained on photographs will likely fail to generalize to datasets containing sketches. Interestingly, it was also shown that adversarial training seems to favorably increase the shift toward shape bias. In this work, we revisit this observation and provide an extensive analysis of this effect on various architectures, the common ell_2- and ell_infty-training, and Transformer-based models. Further, we provide a possible explanation for this phenomenon from a frequency perspective.

Precise geocoding and time normalization for text requires that location and time phrases be identified. Many state-of-the-art geoparsers and temporal parsers suffer from low recall. Categories commonly missed by parsers are: nouns used in a non- spatiotemporal sense, adjectival and adverbial phrases, prepositional phrases, and numerical phrases. We collected and annotated data set by querying commercial web searches API with such spatiotemporal expressions as were missed by state-of-the- art parsers. Due to the high cost of sentence annotation, active learning was used to label training data, and a new strategy was designed to better select training examples to reduce labeling cost. For the learning algorithm, we applied an average perceptron trained Featurized Hidden Markov Model (FHMM). Five FHMM instances were used to create an ensemble, with the output phrase selected by voting. Our ensemble model was tested on a range of sequential labeling tasks, and has shown competitive performance. Our contributions include (1) an new dataset annotated with named entities and expanded spatiotemporal expressions; (2) a comparison of inference algorithms for ensemble models showing the superior accuracy of Belief Propagation over Viterbi Decoding; (3) a new example re-weighting method for active ensemble learning that 'memorizes' the latest examples trained; (4) a spatiotemporal parser that jointly recognizes expanded spatiotemporal expressions as well as named entities.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

The illumination of the accretion disks is frequently studied assuming that the incident X-ray flux is a point-like source. The approach is referred as lamppost model.The most recent computations of the X-ray reprocessing by the disk take into account the departure from the simple lamppost models. However, in computations of the incident flux thermalization and subsequent re-emission in the optical-UV band the lamppost approximation is most frequently assumed. We test if the UV-optical reverberation mapping and time delay measurements are sensitive to this assumption. We assume that the incident radiation originates from a region extended along the symmetry axis. To model this, we adopt a simple setup by representing the emission as two lamps irradiating the disk simultaneously from two different heights. We then compare the resulting predictions with those obtained for a single lamppost located at an intermediate height. We show at the basis of the transfer function that the deviation of the wavelength-dependent delay curve shows at most a difference of 20% in comparison to a single lamppost, assuming the black hole mass of 10^8 M_{odot}, Eddington ratio 1, and the location of the lamps at 5 and 100 rg. The maximum deviation happens for the lamp luminosity ratio sim3. When simulating light curves for a two-lamp setup and a standard lamppost with the same black hole mass and a sampling rate of 0.1 days, we find no measurable differences in the ICCF profiles between the two setups. Larger black hole mass and considerably lower Eddington ratio would allow to see larger differences between a single lamppost and a two-lampost model. UV/optical reverberation mapping is not very sensitive to the vertical extension of the corona.

Attention for transformers is a critical workload that has recently received significant "attention" as a target for custom acceleration. Yet, while prior work succeeds in reducing attention's memory-bandwidth requirements, it creates load imbalance between attention operators (resulting in severe compute under-utilization) and requires on-chip memory that scales with sequence length (which is expected to grow over time). This paper ameliorates these issues, enabling attention with nearly 100% compute utilization, no off-chip memory traffic bottlenecks, and on-chip buffer size requirements that are independent of sequence length. The main conceptual contribution is to use a recently proposed abstraction -- the cascade of Einsums -- to describe, formalize and taxonomize the space of attention algorithms that appear in the literature. In particular, we show how Einsum cascades can be used to infer non-trivial lower bounds on the number of passes a kernel must take through its input data, which has implications for either required on-chip buffer capacity or memory traffic. We show how this notion can be used to meaningfully divide the space of attention algorithms into several categories and use these categories to inform our design process. Based on the above characterization, we propose FuseMax -- a novel mapping of attention onto a spatial array-style architecture. On attention, in an iso-area comparison, FuseMax achieves an average 6.7times speedup over the prior state-of-the-art FLAT while using 79% of the energy. Similarly, on the full end-to-end transformer inference, FuseMax achieves an average 5.3times speedup over FLAT using 83% of the energy.

Training models with longer in-context lengths is a significant challenge for multimodal model due to substantial GPU memory and computational costs. This exploratory study does not present state-of-the-art models; rather, it introduces an innovative method designed to increase in-context text length in multi-modality large language models (MLLMs) efficiently. We present Visualized In-Context Text Processing (VisInContext), which processes long in-context text using visual tokens. This technique significantly reduces GPU memory usage and floating point operations (FLOPs) for both training and inferenceing stage. For instance, our method expands the pre-training in-context text length from 256 to 2048 tokens with nearly same FLOPs for a 56 billion parameter MOE model. Experimental results demonstrate that model trained with VisInContext delivers superior performance on common downstream benchmarks for in-context few-shot evaluation. Additionally, VisInContext is complementary to existing methods for increasing in-context text length and enhances document understanding capabilities, showing great potential in document QA tasks and sequential document retrieval.

We present Chandra ACIS imaging spectroscopy results for the extended (1.5"-8") hard X-ray emission of the Compton thick (CT) Seyfert NGC 5728. We find spectrally and spatially-resolved features in the Fe Kalpha complex (5.0-7.5 keV), redward and blueward of the neutral 6.4 keV line in the extended bicone. The [red, blue] features have [6.5sigma, 5.3sigma] significance, with an equivalent width = [2.0 keV, 2.5 keV], much higher than in the nuclear spectrum. These energies imply line-of-sight velocities of ~19,000-42,000 km s^{-1} for the red wing, and ~ -28,000 km s^{-1} for the blue wing, if the emission is due to neutral Fe Kalpha. These red and blue wings are radially extended ~6"(1.2 kpc), and ~5"(1 kpc), respectively, as confirmed by narrow-band X-ray imaging. Our models discard the possibility that the red wing could arise from a Compton shoulder, and show that the flux in the blue wing is unlikely to arise (at ~3sigma significance) from a blend of Fe Kbeta and highly ionized Fe lines.

Real-time multi-task multi-model (MTMM) workloads, a new form of deep learning inference workloads, are emerging for applications areas like extended reality (XR) to support metaverse use cases. These workloads combine user interactivity with computationally complex machine learning (ML) activities. Compared to standard ML applications, these ML workloads present unique difficulties and constraints. Real-time MTMM workloads impose heterogeneity and concurrency requirements on future ML systems and devices, necessitating the development of new capabilities. This paper begins with a discussion of the various characteristics of these real-time MTMM ML workloads and presents an ontology for evaluating the performance of future ML hardware for XR systems. Next, we present XRBENCH, a collection of MTMM ML tasks, models, and usage scenarios that execute these models in three representative ways: cascaded, concurrent, and cascaded-concurrent for XR use cases. Finally, we emphasize the need for new metrics that capture the requirements properly. We hope that our work will stimulate research and lead to the development of a new generation of ML systems for XR use cases. XRBench is available as an open-source project: https://github.com/XRBench

B[e] stars are massive B type emission line stars in different evolutionary stages ranging from pre-main sequence to post-main sequence. Due to their mass loss and ejection events these objects deposit huge amounts of mass and energy into their environment and enrich it with chemically processed material, contributing significantly to the chemical and dynamical evolution of their host galaxies. However, the large-scale environments of these enigmatic objects have not attracted much attention. The first and so far only catalog reporting the detection of extended shells around a sample of B[e] stars was an Ha imaging survey carried out in the year 2001, and was limited to bright targets in the northern hemisphere. We have recently started a follow-up of those targets to detect possible evolution of their nebulae in the plane of the sky over a baseline of two decades. Furthermore, we extend our survey to southern targets and fainter northern ones to complement and complete our knowledge on large-scale ejecta surrounding B[e] stars. Besides imaging in Ha and selected nebular lines, we utilize long-slit and 3D spectral observations across the nebulae to derive their physical properties. We discovered pronounced nebula structures around 15 more objects, resulting in a total of 27 B[e] stars with a large-scale nebula. Here we present our (preliminary) results for three selected objects: the two massive supergiants MWC137 and MWC 314, and the unclassified B[e] star MWC 819.

This paper presents teaching materials, particularly assignments and ideas for classroom activities, from a new course on large language models (LLMs) taught at Charles University. The assignments include experiments with LLM inference for weather report generation and machine translation. The classroom activities include class quizzes, focused research on downstream tasks and datasets, and an interactive "best paper" session aimed at reading and comprehension of research papers.

This paper introduces 26 guiding principles designed to streamline the process of querying and prompting large language models. Our goal is to simplify the underlying concepts of formulating questions for various scales of large language models, examining their abilities, and enhancing user comprehension on the behaviors of different scales of large language models when feeding into different prompts. Extensive experiments are conducted on LLaMA-1/2 (7B, 13B and 70B), GPT-3.5/4 to verify the effectiveness of the proposed principles on instructions and prompts design. We hope that this work provides a better guide for researchers working on the prompting of large language models. Project page is available at https://github.com/VILA-Lab/ATLAS.

We propose ParaSCI, the first large-scale paraphrase dataset in the scientific field, including 33,981 paraphrase pairs from ACL (ParaSCI-ACL) and 316,063 pairs from arXiv (ParaSCI-arXiv). Digging into characteristics and common patterns of scientific papers, we construct this dataset though intra-paper and inter-paper methods, such as collecting citations to the same paper or aggregating definitions by scientific terms. To take advantage of sentences paraphrased partially, we put up PDBERT as a general paraphrase discovering method. The major advantages of paraphrases in ParaSCI lie in the prominent length and textual diversity, which is complementary to existing paraphrase datasets. ParaSCI obtains satisfactory results on human evaluation and downstream tasks, especially long paraphrase generation.

Large Language Models (LLMs) are often described as being instances of foundation models - that is, models that transfer strongly across various tasks and conditions in few-show or zero-shot manner, while exhibiting scaling laws that predict function improvement when increasing the pre-training scale. These claims of excelling in different functions and tasks rely on measurements taken across various sets of standardized benchmarks showing high scores for such models. We demonstrate here a dramatic breakdown of function and reasoning capabilities of state-of-the-art models trained at the largest available scales which claim strong function, using a simple, short, conventional common sense problem formulated in concise natural language, easily solvable by humans. The breakdown is dramatic, as models also express strong overconfidence in their wrong solutions, while providing often non-sensical "reasoning"-like explanations akin to confabulations to justify and backup the validity of their clearly failed responses, making them sound plausible. Various standard interventions in an attempt to get the right solution, like various type of enhanced prompting, or urging the models to reconsider the wrong solutions again by multi step re-evaluation, fail. We take these initial observations to the scientific and technological community to stimulate urgent re-assessment of the claimed capabilities of current generation of LLMs, Such re-assessment also requires common action to create standardized benchmarks that would allow proper detection of such basic reasoning deficits that obviously manage to remain undiscovered by current state-of-the-art evaluation procedures and benchmarks. Code for reproducing experiments in the paper and raw experiments data can be found at https://github.com/LAION-AI/AIW

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

Randomized controlled trials (RCTs) are considered the gold standard for estimating the average treatment effect (ATE) of interventions. One use of RCTs is to study the causes of global poverty -- a subject explicitly cited in the 2019 Nobel Memorial Prize awarded to Duflo, Banerjee, and Kremer "for their experimental approach to alleviating global poverty." Because the ATE is a population summary, anti-poverty experiments often seek to unpack the effect variation around the ATE by conditioning (CATE) on tabular variables such as age and ethnicity that were measured during the RCT data collection. Although such variables are key to unpacking CATE, using only such variables may fail to capture historical, geographical, or neighborhood-specific contributors to effect variation, as tabular RCT data are often only observed near the time of the experiment. In global poverty research, when the location of the experiment units is approximately known, satellite imagery can provide a window into such factors important for understanding heterogeneity. However, there is no method that specifically enables applied researchers to analyze CATE from images. In this paper, using a deep probabilistic modeling framework, we develop such a method that estimates latent clusters of images by identifying images with similar treatment effects distributions. Our interpretable image CATE model also includes a sensitivity factor that quantifies the importance of image segments contributing to the effect cluster prediction. We compare the proposed methods against alternatives in simulation; also, we show how the model works in an actual RCT, estimating the effects of an anti-poverty intervention in northern Uganda and obtaining a posterior predictive distribution over effects for the rest of the country where no experimental data was collected. We make all models available in open-source software.

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which face the problem of small and diverse datasets that are frequently in the form of text. LLMs have shown promise in addressing these issues and are increasingly being harnessed to predict chemical properties, optimize reactions, and even design and conduct experiments autonomously. However, we still have only a very limited systematic understanding of the chemical reasoning capabilities of LLMs, which would be required to improve models and mitigate potential harms. Here, we introduce "ChemBench," an automated framework designed to rigorously evaluate the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of human chemists. We curated more than 7,000 question-answer pairs for a wide array of subfields of the chemical sciences, evaluated leading open and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. The models, however, struggle with some chemical reasoning tasks that are easy for human experts and provide overconfident, misleading predictions, such as about chemicals' safety profiles. These findings underscore the dual reality that, although LLMs demonstrate remarkable proficiency in chemical tasks, further research is critical to enhancing their safety and utility in chemical sciences. Our findings also indicate a need for adaptations to chemistry curricula and highlight the importance of continuing to develop evaluation frameworks to improve safe and useful LLMs.

Creating radio galaxy catalogues from next-generation deep surveys requires automated identification of associated components of extended sources and their corresponding infrared hosts. In this paper, we introduce RadioGalaxyNET, a multimodal dataset, and a suite of novel computer vision algorithms designed to automate the detection and localization of multi-component extended radio galaxies and their corresponding infrared hosts. The dataset comprises 4,155 instances of galaxies in 2,800 images with both radio and infrared channels. Each instance provides information about the extended radio galaxy class, its corresponding bounding box encompassing all components, the pixel-level segmentation mask, and the keypoint position of its corresponding infrared host galaxy. RadioGalaxyNET is the first dataset to include images from the highly sensitive Australian Square Kilometre Array Pathfinder (ASKAP) radio telescope, corresponding infrared images, and instance-level annotations for galaxy detection. We benchmark several object detection algorithms on the dataset and propose a novel multimodal approach to simultaneously detect radio galaxies and the positions of infrared hosts.

Diffusion models (DMs) demonstrate potent image generation capabilities in various generative modeling tasks. Nevertheless, their primary limitation lies in slow sampling speed, requiring hundreds or thousands of sequential function evaluations through large neural networks to generate high-quality images. Sampling from DMs can be seen alternatively as solving corresponding stochastic differential equations (SDEs) or ordinary differential equations (ODEs). In this work, we formulate the sampling process as an extended reverse-time SDE (ER SDE), unifying prior explorations into ODEs and SDEs. Leveraging the semi-linear structure of ER SDE solutions, we offer exact solutions and arbitrarily high-order approximate solutions for VP SDE and VE SDE, respectively. Based on the solution space of the ER SDE, we yield mathematical insights elucidating the superior performance of ODE solvers over SDE solvers in terms of fast sampling. Additionally, we unveil that VP SDE solvers stand on par with their VE SDE counterparts. Finally, we devise fast and training-free samplers, ER-SDE-Solvers, achieving state-of-the-art performance across all stochastic samplers. Experimental results demonstrate achieving 3.45 FID in 20 function evaluations and 2.24 FID in 50 function evaluations on the ImageNet 64times64 dataset.

Image generation and editing have seen a great deal of advancements with the rise of large-scale diffusion models that allow user control of different modalities such as text, mask, depth maps, etc. However, controlled editing of videos still lags behind. Prior work in this area has focused on using 2D diffusion models to globally change the style of an existing video. On the other hand, in many practical applications, editing localized parts of the video is critical. In this work, we propose a method to edit videos using a pre-trained inpainting image diffusion model. We systematically redesign the forward path of the model by replacing the self-attention modules with an extended version of attention modules that creates frame-level dependencies. In this way, we ensure that the edited information will be consistent across all the video frames no matter what the shape and position of the masked area is. We qualitatively compare our results with state-of-the-art in terms of accuracy on several video editing tasks like object retargeting, object replacement, and object removal tasks. Simulations demonstrate the superior performance of the proposed strategy.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

The metaverse is a nascent concept that envisions a virtual universe, a collaborative space where individuals can interact, create, and participate in a wide range of activities. Privacy in the metaverse is a critical concern as the concept evolves and immersive virtual experiences become more prevalent. The metaverse privacy problem refers to the challenges and concerns surrounding the privacy of personal information and data within Virtual Reality (VR) environments as the concept of a shared VR space becomes more accessible. Metaverse will harness advancements from various technologies such as Artificial Intelligence (AI), Extended Reality (XR), Mixed Reality (MR), and 5G/6G-based communication to provide personalized and immersive services to its users. Moreover, to enable more personalized experiences, the metaverse relies on the collection of fine-grained user data that leads to various privacy issues. Therefore, before the potential of the metaverse can be fully realized, privacy concerns related to personal information and data within VR environments must be addressed. This includes safeguarding users' control over their data, ensuring the security of their personal information, and protecting in-world actions and interactions from unauthorized sharing. In this paper, we explore various privacy challenges that future metaverses are expected to face, given their reliance on AI for tracking users, creating XR and MR experiences, and facilitating interactions. Moreover, we thoroughly analyze technical solutions such as differential privacy, Homomorphic Encryption (HE), and Federated Learning (FL) and discuss related sociotechnical issues regarding privacy.

Selecting exploratory actions that generate a rich stream of experience for better learning is a fundamental challenge in reinforcement learning (RL). An approach to tackle this problem consists in selecting actions according to specific policies for an extended period of time, also known as options. A recent line of work to derive such exploratory options builds upon the eigenfunctions of the graph Laplacian. Importantly, until now these methods have been mostly limited to tabular domains where (1) the graph Laplacian matrix was either given or could be fully estimated, (2) performing eigendecomposition on this matrix was computationally tractable, and (3) value functions could be learned exactly. Additionally, these methods required a separate option discovery phase. These assumptions are fundamentally not scalable. In this paper we address these limitations and show how recent results for directly approximating the eigenfunctions of the Laplacian can be leveraged to truly scale up options-based exploration. To do so, we introduce a fully online deep RL algorithm for discovering Laplacian-based options and evaluate our approach on a variety of pixel-based tasks. We compare to several state-of-the-art exploration methods and show that our approach is effective, general, and especially promising in non-stationary settings.

Metaverse is expected to emerge as a new paradigm for the next-generation Internet, providing fully immersive and personalised experiences to socialize, work, and play in self-sustaining and hyper-spatio-temporal virtual world(s). The advancements in different technologies like augmented reality, virtual reality, extended reality (XR), artificial intelligence (AI), and 5G/6G communication will be the key enablers behind the realization of AI-XR metaverse applications. While AI itself has many potential applications in the aforementioned technologies (e.g., avatar generation, network optimization, etc.), ensuring the security of AI in critical applications like AI-XR metaverse applications is profoundly crucial to avoid undesirable actions that could undermine users' privacy and safety, consequently putting their lives in danger. To this end, we attempt to analyze the security, privacy, and trustworthiness aspects associated with the use of various AI techniques in AI-XR metaverse applications. Specifically, we discuss numerous such challenges and present a taxonomy of potential solutions that could be leveraged to develop secure, private, robust, and trustworthy AI-XR applications. To highlight the real implications of AI-associated adversarial threats, we designed a metaverse-specific case study and analyzed it through the adversarial lens. Finally, we elaborate upon various open issues that require further research interest from the community.

We present a comprehensive treatment of relative oscillation theory for finite Jacobi matrices. We show that the difference of the number of eigenvalues of two Jacobi matrices in an interval equals the number of weighted sign-changes of the Wronskian of suitable solutions of the two underlying difference equations. Until now only the case of perturbations of the main diagonal was known. We extend the known results to arbitrary perturbations, allow any (half-)open and closed spectral intervals, simplify the proof, and establish the comparison theorem.

As large language models (LLMs) have been deployed in various real-world settings, concerns about the harm they may propagate have grown. Various jailbreaking techniques have been developed to expose the vulnerabilities of these models and improve their safety. This work reveals that many state-of-the-art LLMs are vulnerable to malicious requests hidden behind scientific language. Specifically, our experiments with GPT4o, GPT4o-mini, GPT-4, LLama3-405B-Instruct, Llama3-70B-Instruct, Cohere, Gemini models demonstrate that, the models' biases and toxicity substantially increase when prompted with requests that deliberately misinterpret social science and psychological studies as evidence supporting the benefits of stereotypical biases. Alarmingly, these models can also be manipulated to generate fabricated scientific arguments claiming that biases are beneficial, which can be used by ill-intended actors to systematically jailbreak these strong LLMs. Our analysis studies various factors that contribute to the models' vulnerabilities to malicious requests in academic language. Mentioning author names and venues enhances the persuasiveness of models, and the bias scores increase as dialogues progress. Our findings call for a more careful investigation on the use of scientific data for training LLMs.

We describe a method, based on Jennifer Nado's definition of classification procedures as targets of conceptual engineering, that implements such procedures using a large language model. We then apply this method using data from the Wikidata knowledge graph to evaluate concept definitions from two paradigmatic conceptual engineering projects: the International Astronomical Union's redefinition of PLANET and Haslanger's ameliorative analysis of WOMAN. We discuss implications of this work for the theory and practice of conceptual engineering. The code and data can be found on GitHub.

In this paper, we present empirical evidence of skills and directed exploration emerging from a simple RL algorithm long before any successful trials are observed. For example, in a manipulation task, the agent is given a single observation of the goal state and learns skills, first for moving its end-effector, then for pushing the block, and finally for picking up and placing the block. These skills emerge before the agent has ever successfully placed the block at the goal location and without the aid of any reward functions, demonstrations, or manually-specified distance metrics. Once the agent has learned to reach the goal state reliably, exploration is reduced. Implementing our method involves a simple modification of prior work and does not require density estimates, ensembles, or any additional hyperparameters. Intuitively, the proposed method seems like it should be terrible at exploration, and we lack a clear theoretical understanding of why it works so effectively, though our experiments provide some hints.

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs.

Many popular programming languages, including C#, Java, and Python, support exceptions. Exceptions are thrown during program execution if an unwanted event happens, e.g., a method is invoked with an illegal argument value. Software developers write exceptional behavior tests (EBTs) to check that their code detects unwanted events and throws appropriate exceptions. Prior research studies have shown the importance of EBTs, but those studies also highlighted that developers put most of their efforts on "happy paths", e.g., paths without unwanted events. To help developers fill the gap, we present the first framework, dubbed exLong, that automatically generates EBTs. exLong is a large language model instruction-tuned from CodeLlama and embeds reasoning about traces that lead to throw statements, conditional expressions that guard throw statements, and non-exceptional behavior tests that execute similar traces. We compare exLong with the state-of-the-art models for test generation (CAT-LM) and one of the strongest foundation models (GPT3.5), as well as with analysis-based tools for test generation (Randoop and EvoSuite). Our results show that exLong outperforms existing models and tools. Furthermore, we contributed several pull requests to open-source projects and 23 EBTs generated by exLong were already accepted.

When conducting literature reviews, scientists often create literature review tables - tables whose rows are publications and whose columns constitute a schema, a set of aspects used to compare and contrast the papers. Can we automatically generate these tables using language models (LMs)? In this work, we introduce a framework that leverages LMs to perform this task by decomposing it into separate schema and value generation steps. To enable experimentation, we address two main challenges: First, we overcome a lack of high-quality datasets to benchmark table generation by curating and releasing arxivDIGESTables, a new dataset of 2,228 literature review tables extracted from ArXiv papers that synthesize a total of 7,542 research papers. Second, to support scalable evaluation of model generations against human-authored reference tables, we develop DecontextEval, an automatic evaluation method that aligns elements of tables with the same underlying aspects despite differing surface forms. Given these tools, we evaluate LMs' abilities to reconstruct reference tables, finding this task benefits from additional context to ground the generation (e.g. table captions, in-text references). Finally, through a human evaluation study we find that even when LMs fail to fully reconstruct a reference table, their generated novel aspects can still be useful.

In this work, we present a conceptually simple and effective method to train a strong bilingual/multilingual multimodal representation model. Starting from the pre-trained multimodal representation model CLIP released by OpenAI, we altered its text encoder with a pre-trained multilingual text encoder XLM-R, and aligned both languages and image representations by a two-stage training schema consisting of teacher learning and contrastive learning. We validate our method through evaluations of a wide range of tasks. We set new state-of-the-art performances on a bunch of tasks including ImageNet-CN, Flicker30k-CN, COCO-CN and XTD. Further, we obtain very close performances with CLIP on almost all tasks, suggesting that one can simply alter the text encoder in CLIP for extended capabilities such as multilingual understanding. Our models and code are available at https://github.com/FlagAI-Open/FlagAI.

Language instructions and demonstrations are two natural ways for users to teach robots personalized tasks. Recent progress in Large Language Models (LLMs) has shown impressive performance in translating language instructions into code for robotic tasks. However, translating demonstrations into task code continues to be a challenge due to the length and complexity of both demonstrations and code, making learning a direct mapping intractable. This paper presents Demo2Code, a novel framework that generates robot task code from demonstrations via an extended chain-of-thought and defines a common latent specification to connect the two. Our framework employs a robust two-stage process: (1) a recursive summarization technique that condenses demonstrations into concise specifications, and (2) a code synthesis approach that expands each function recursively from the generated specifications. We conduct extensive evaluation on various robot task benchmarks, including a novel game benchmark Robotouille, designed to simulate diverse cooking tasks in a kitchen environment. The project's website is available at https://portal-cornell.github.io/demo2code/

Texting stands out as the most prominent form of communication worldwide. Individual spend significant amount of time writing whole texts to send emails or write something on social media, which is time consuming in this modern era. Word prediction and sentence completion will be suitable and appropriate in the Bangla language to make textual information easier and more convenient. This paper expands the scope of Bangla language processing by introducing a Bi-LSTM model that effectively handles Bangla next-word prediction and Bangla sentence generation, demonstrating its versatility and potential impact. We proposed a new Bi-LSTM model to predict a following word and complete a sentence. We constructed a corpus dataset from various news portals, including bdnews24, BBC News Bangla, and Prothom Alo. The proposed approach achieved superior results in word prediction, reaching 99\% accuracy for both 4-gram and 5-gram word predictions. Moreover, it demonstrated significant improvement over existing methods, achieving 35\%, 75\%, and 95\% accuracy for uni-gram, bi-gram, and tri-gram word prediction, respectively

Hand tracking is a critical component of natural user interactions in extended reality (XR) environments, including extended reality musical instruments (XRMIs). However, self-occlusion remains a significant challenge for vision-based hand tracking systems, leading to inaccurate results and degraded user experiences. In this paper, we propose a multimodal hand tracking system that combines vision-based hand tracking with surface electromyography (sEMG) data for finger joint angle estimation. We validate the effectiveness of our system through a series of hand pose tasks designed to cover a wide range of gestures, including those prone to self-occlusion. By comparing the performance of our multimodal system to a baseline vision-based tracking method, we demonstrate that our multimodal approach significantly improves tracking accuracy for several finger joints prone to self-occlusion. These findings suggest that our system has the potential to enhance XR experiences by providing more accurate and robust hand tracking, even in the presence of self-occlusion.

Wikipedia is a great source of general world knowledge which can guide NLP models better understand their motivation to make predictions. Structuring Wikipedia is the initial step towards this goal which can facilitate fine-grain classification of articles. In this work, we introduce the Shinra 5-Language Categorization Dataset (SHINRA-5LDS), a large multi-lingual and multi-labeled set of annotated Wikipedia articles in Japanese, English, French, German, and Farsi using Extended Named Entity (ENE) tag set. We evaluate the dataset using the best models provided for ENE label set classification and show that the currently available classification models struggle with large datasets using fine-grained tag sets.

We test whether Large Language Models (LLMs) can be used to simulate human participants in social-science studies. To do this, we run replications of 14 studies from the Many Labs 2 replication project with OpenAI's text-davinci-003 model, colloquially known as GPT3.5. Based on our pre-registered analyses, we find that among the eight studies we could analyse, our GPT sample replicated 37.5% of the original results and 37.5% of the Many Labs 2 results. However, we were unable to analyse the remaining six studies due to an unexpected phenomenon we call the "correct answer" effect. Different runs of GPT3.5 answered nuanced questions probing political orientation, economic preference, judgement, and moral philosophy with zero or near-zero variation in responses: with the supposedly "correct answer." In one exploratory follow-up study, we found that a "correct answer" was robust to changing the demographic details that precede the prompt. In another, we found that most but not all "correct answers" were robust to changing the order of answer choices. One of our most striking findings occurred in our replication of the Moral Foundations Theory survey results, where we found GPT3.5 identifying as a political conservative in 99.6% of the cases, and as a liberal in 99.3% of the cases in the reverse-order condition. However, both self-reported 'GPT conservatives' and 'GPT liberals' showed right-leaning moral foundations. Our results cast doubts on the validity of using LLMs as a general replacement for human participants in the social sciences. Our results also raise concerns that a hypothetical AI-led future may be subject to a diminished diversity-of-thought.

To effectively optimize and personalize treatments, it is necessary to investigate the heterogeneity of treatment effects. With the wide range of users being treated over many online controlled experiments, the typical approach of manually investigating each dimension of heterogeneity becomes overly cumbersome and prone to subjective human biases. We need an efficient way to search through thousands of experiments with hundreds of target covariates and hundreds of breakdown dimensions. In this paper, we propose a systematic paradigm for detecting, surfacing and characterizing heterogeneous treatment effects. First, we detect if treatment effect variation is present in an experiment, prior to specifying any breakdowns. Second, we surface the most relevant dimensions for heterogeneity. Finally, we characterize the heterogeneity beyond just the conditional average treatment effects (CATE) by studying the conditional distributions of the estimated individual treatment effects. We show the effectiveness of our methods using simulated data and empirical studies.

Developmental psychologists have spent decades devising experiments to test the intelligence and knowledge of infants and children, tracing the origin of crucial concepts and capacities. Moreover, experimental techniques in developmental psychology have been carefully designed to discriminate the cognitive capacities that underlie particular behaviors. We propose that using classical experiments from child development is a particularly effective way to probe the computational abilities of AI models, in general, and LLMs in particular. First, the methodological techniques of developmental psychology, such as the use of novel stimuli to control for past experience or control conditions to determine whether children are using simple associations, can be equally helpful for assessing the capacities of LLMs. In parallel, testing LLMs in this way can tell us whether the information that is encoded in text is sufficient to enable particular responses, or whether those responses depend on other kinds of information, such as information from exploration of the physical world. In this work we adapt classical developmental experiments to evaluate the capabilities of LaMDA, a large language model from Google. We propose a novel LLM Response Score (LRS) metric which can be used to evaluate other language models, such as GPT. We find that LaMDA generates appropriate responses that are similar to those of children in experiments involving social understanding, perhaps providing evidence that knowledge of these domains is discovered through language. On the other hand, LaMDA's responses in early object and action understanding, theory of mind, and especially causal reasoning tasks are very different from those of young children, perhaps showing that these domains require more real-world, self-initiated exploration and cannot simply be learned from patterns in language input.

In this work, we study the issue of reward hacking on the response length, a challenge emerging in Reinforcement Learning from Human Feedback (RLHF) on LLMs. A well-formatted, verbose but less helpful response from the LLMs can often deceive LLMs or even human evaluators to achieve high scores. The same issue also holds for some reward models in RL. To address the challenges in both training and evaluation, we establish a more reliable evaluation protocol for comparing different training configurations, which inspects the trade-off between LLM evaluation score and response length obtained by varying training hyperparameters. Based on this evaluation, we conduct large-scale studies, where the results shed insights into the efficacy of hyperparameters and tricks used in RL on mitigating length bias. We further propose to improve the reward model by jointly training two linear heads on shared feature representations to predict the rewards, one trained to correlate with length, and the other trained to decorrelate with length and therefore focus more on the actual content. We then discard the length head in RL to prevent reward hacking on length. Experiments demonstrate that our approach almost eliminates the reward correlation with length, and improves the obtained policy by a significant margin.

Large Language Models (LLM)-based systems, i.e. interconnected elements that include an LLM as a central component (e.g., conversational agents), are typically monolithic static architectures that rely on a single LLM for all user queries. However, they often require different preprocessing strategies, levels of reasoning, or knowledge. Generalist LLMs (i.e. GPT-4), trained on very large multi-topic corpora, can perform well in a variety of tasks. However, they require significant financial, energy, and hardware resources that may not be justified for basic tasks. This implies potentially investing in unnecessary costs for a given query. To overcome this problem, a routing mechanism routes user queries to the most suitable components, such as smaller LLMs or experts in specific topics. This approach may improve response quality while minimising costs. Routing can be expanded to other components of the conversational agent architecture, such as the selection of optimal embedding strategies. This paper explores key considerations for integrating routing into LLM-based systems, focusing on resource management, cost definition, and strategy selection. Our main contributions include a formalisation of the problem, a novel taxonomy of existing approaches emphasising relevance and resource efficiency, and a comparative analysis of these strategies in relation to industry practices. Finally, we identify critical challenges and directions for future research.

This study introduces a line list for the abundance analysis of F and G type stars across the 4080-9675 A wavelength range. A systematic search employing lower excitation potentials, accurate log gf values, and an updated multiplet table led to the identification of 592 lines across 33 species (25 elements), including C, O, Mg (ionized), Al, P, S, Cu, Zr (neutral), and La. To determine the uncertainties in log gf values, we assessed solar abundance using a very high-resolution (R=1000000) disk-integrated solar spectrum. These lines were confirmed to be blend-free in the solar spectrum. The line list was further validated by analyzing the metal-poor star HD 218209 (G6V), which is notable for its well-documented and reliable abundance in literature. The abundances were obtained using the equivalent width (EW) method and further refined by applying the spectrum synthesis method. A comparative analysis with the Gaia ESO line list v.6, provided by the Gaia ESO collaboration, revealed additional neutral and ionized Fe lines. This extensively refined line list will facilitate precise stellar parameter determinations and accurate abundance analyses of spectra within the PolarBASE spectral library.

In this work, we describe strategies and provide case-study activities that can be used to examine the properties of superposition, entanglement, tagging, complementarity, and measurement in quantum curricula geared for teacher training. Having a solid foundation in these conceptual ideas is critical for educators who will be adopting quantum ideas within the classroom. Yet they are some of the most difficult concepts to master. We show how one can systematically develop these conceptual foundations with thought experiments on light and with thought experiments that employ the Stern-Gerlach experiment. We emphasize the importance of computer animations in aiding the instruction on these concepts.

Throughout history, we have successfully integrated various machines into our homes. Dishwashers, laundry machines, stand mixers, and robot vacuums are a few recent examples. However, these machines excel at performing only a single task effectively. The concept of a "generalist machine" in homes - a domestic assistant that can adapt and learn from our needs, all while remaining cost-effective - has long been a goal in robotics that has been steadily pursued for decades. In this work, we initiate a large-scale effort towards this goal by introducing Dobb-E, an affordable yet versatile general-purpose system for learning robotic manipulation within household settings. Dobb-E can learn a new task with only five minutes of a user showing it how to do it, thanks to a demonstration collection tool ("The Stick") we built out of cheap parts and iPhones. We use the Stick to collect 13 hours of data in 22 homes of New York City, and train Home Pretrained Representations (HPR). Then, in a novel home environment, with five minutes of demonstrations and fifteen minutes of adapting the HPR model, we show that Dobb-E can reliably solve the task on the Stretch, a mobile robot readily available on the market. Across roughly 30 days of experimentation in homes of New York City and surrounding areas, we test our system in 10 homes, with a total of 109 tasks in different environments, and finally achieve a success rate of 81%. Beyond success percentages, our experiments reveal a plethora of unique challenges absent or ignored in lab robotics. These range from effects of strong shadows, to variable demonstration quality by non-expert users. With the hope of accelerating research on home robots, and eventually seeing robot butlers in every home, we open-source Dobb-E software stack and models, our data, and our hardware designs at https://dobb-e.com

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

The Archives Unleashed project aims to improve scholarly access to web archives through a multi-pronged strategy involving tool creation, process modeling, and community building - all proceeding concurrently in mutually-reinforcing efforts. As we near the end of our initially-conceived three-year project, we report on our progress and share lessons learned along the way. The main contribution articulated in this paper is a process model that decomposes scholarly inquiries into four main activities: filter, extract, aggregate, and visualize. Based on the insight that these activities can be disaggregated across time, space, and tools, it is possible to generate "derivative products", using our Archives Unleashed Toolkit, that serve as useful starting points for scholarly inquiry. Scholars can download these products from the Archives Unleashed Cloud and manipulate them just like any other dataset, thus providing access to web archives without requiring any specialized knowledge. Over the past few years, our platform has processed over a thousand different collections from about two hundred users, totaling over 280 terabytes of web archives.

Online encyclopedias, such as Wikipedia, have been well-developed and researched in the last two decades. One can find any attributes or other information of a wiki item on a wiki page edited by a community of volunteers. However, the traditional text, images and tables can hardly express some aspects of an wiki item. For example, when we talk about ``Shiba Inu'', one may care more about ``How to feed it'' or ``How to train it not to protect its food''. Currently, short-video platforms have become a hallmark in the online world. Whether you're on TikTok, Instagram, Kuaishou, or YouTube Shorts, short-video apps have changed how we consume and create content today. Except for producing short videos for entertainment, we can find more and more authors sharing insightful knowledge widely across all walks of life. These short videos, which we call knowledge videos, can easily express any aspects (e.g. hair or how-to-feed) consumers want to know about an item (e.g. Shiba Inu), and they can be systematically analyzed and organized like an online encyclopedia. In this paper, we propose Kuaipedia, a large-scale multi-modal encyclopedia consisting of items, aspects, and short videos lined to them, which was extracted from billions of videos of Kuaishou (Kwai), a well-known short-video platform in China. We first collected items from multiple sources and mined user-centered aspects from millions of users' queries to build an item-aspect tree. Then we propose a new task called ``multi-modal item-aspect linking'' as an expansion of ``entity linking'' to link short videos into item-aspect pairs and build the whole short-video encyclopedia. Intrinsic evaluations show that our encyclopedia is of large scale and highly accurate. We also conduct sufficient extrinsic experiments to show how Kuaipedia can help fundamental applications such as entity typing and entity linking.

Recent work has shown promising results in causal discovery by leveraging interventional data with gradient-based methods, even when the intervened variables are unknown. However, previous work assumes that the correspondence between samples and interventions is known, which is often unrealistic. We envision a scenario with an extensive dataset sampled from multiple intervention distributions and one observation distribution, but where we do not know which distribution originated each sample and how the intervention affected the system, i.e., interventions are entirely latent. We propose a method based on neural networks and variational inference that addresses this scenario by framing it as learning a shared causal graph among an infinite mixture (under a Dirichlet process prior) of intervention structural causal models. Experiments with synthetic and real data show that our approach and its semi-supervised variant are able to discover causal relations in this challenging scenario.

Neural Information Retrieval (NIR) has significantly improved upon heuristic-based IR systems. Yet, failures remain frequent, the models used often being unable to retrieve documents relevant to the user's query. We address this challenge by proposing a lightweight abstention mechanism tailored for real-world constraints, with particular emphasis placed on the reranking phase. We introduce a protocol for evaluating abstention strategies in a black-box scenario, demonstrating their efficacy, and propose a simple yet effective data-driven mechanism. We provide open-source code for experiment replication and abstention implementation, fostering wider adoption and application in diverse contexts.

This article presents a review about the main CERN n\_TOF contributions to the field of neutron-capture experiments of interest for s-process nucleosynthesis studies over the last 25 years, with special focus on the measurement of radioactive isotopes. A few recent capture experiments on stable isotopes of astrophysical interest are also discussed. Results on s-process branching nuclei are appropriate to illustrate how advances in detection systems and upgrades in the facility have enabled increasingly challenging experiments and, as a consequence, have led to a better understanding and modeling of the s-process mechanism of nucleosynthesis. New endeavors combining radioactive-ion beams from ISOLDE for the production of radioisotopically pure samples for activation experiments at the new NEAR facility at n\_TOF are briefly discussed. On the basis of these new exciting results, also current limitations of state-of-the-art TOF and activation techniques will be depicted, thereby showing the pressing need for further upgrades and enhancements on both facilities and detection systems. A brief account of the potential technique based on inverse kinematics for direct neutron-capture measurements is also presented.

We consider the task of evaluating policies of algorithmic resource allocation through randomized controlled trials (RCTs). Such policies are tasked with optimizing the utilization of limited intervention resources, with the goal of maximizing the benefits derived. Evaluation of such allocation policies through RCTs proves difficult, notwithstanding the scale of the trial, because the individuals' outcomes are inextricably interlinked through resource constraints controlling the policy decisions. Our key contribution is to present a new estimator leveraging our proposed novel concept, that involves retrospective reshuffling of participants across experimental arms at the end of an RCT. We identify conditions under which such reassignments are permissible and can be leveraged to construct counterfactual trials, whose outcomes can be accurately ascertained, for free. We prove theoretically that such an estimator is more accurate than common estimators based on sample means -- we show that it returns an unbiased estimate and simultaneously reduces variance. We demonstrate the value of our approach through empirical experiments on synthetic, semi-synthetic as well as real case study data and show improved estimation accuracy across the board.

A key component of successfully reading a passage of text is the ability to apply knowledge gained from the passage to a new situation. In order to facilitate progress on this kind of reading, we present ROPES, a challenging benchmark for reading comprehension targeting Reasoning Over Paragraph Effects in Situations. We target expository language describing causes and effects (e.g., "animal pollinators increase efficiency of fertilization in flowers"), as they have clear implications for new situations. A system is presented a background passage containing at least one of these relations, a novel situation that uses this background, and questions that require reasoning about effects of the relationships in the background passage in the context of the situation. We collect background passages from science textbooks and Wikipedia that contain such phenomena, and ask crowd workers to author situations, questions, and answers, resulting in a 14,322 question dataset. We analyze the challenges of this task and evaluate the performance of state-of-the-art reading comprehension models. The best model performs only slightly better than randomly guessing an answer of the correct type, at 61.6% F1, well below the human performance of 89.0%.

With the exponential growth of research facilitated by modern technology and improved accessibility, scientific discoveries have become increasingly fragmented within and across fields. This makes it challenging to assess the significance, novelty, incremental findings, and equivalent ideas between related works, particularly those from different research communities. Large language models (LLMs) have recently demonstrated strong quantitative and qualitative reasoning abilities, and multi-agent LLM debates have shown promise in handling complex reasoning tasks by exploring diverse perspectives and reasoning paths. Inspired by this, we introduce Tree-of-Debate (ToD), a framework which converts scientific papers into LLM personas that debate their respective novelties. To emphasize structured, critical reasoning rather than focusing solely on outcomes, ToD dynamically constructs a debate tree, enabling fine-grained analysis of independent novelty arguments within scholarly articles. Through experiments on scientific literature across various domains, evaluated by expert researchers, we demonstrate that ToD generates informative arguments, effectively contrasts papers, and supports researchers in their literature review.

Retrieval Augmented Generation (RAG) represents a significant advancement in artificial intelligence combining a retrieval phase with a generative phase, with the latter typically being powered by large language models (LLMs). The current common practices in RAG involve using "instructed" LLMs, which are fine-tuned with supervised training to enhance their ability to follow instructions and are aligned with human preferences using state-of-the-art techniques. Contrary to popular belief, our study demonstrates that base models outperform their instructed counterparts in RAG tasks by 20% on average under our experimental settings. This finding challenges the prevailing assumptions about the superiority of instructed LLMs in RAG applications. Further investigations reveal a more nuanced situation, questioning fundamental aspects of RAG and suggesting the need for broader discussions on the topic; or, as Fromm would have it, "Seldom is a glance at the statistics enough to understand the meaning of the figures".

The field of Deep Learning (DL) has undergone explosive growth during the last decade, with a substantial impact on Natural Language Processing (NLP) as well. Yet, compared to more established disciplines, a lack of common experimental standards remains an open challenge to the field at large. Starting from fundamental scientific principles, we distill ongoing discussions on experimental standards in NLP into a single, widely-applicable methodology. Following these best practices is crucial to strengthen experimental evidence, improve reproducibility and support scientific progress. These standards are further collected in a public repository to help them transparently adapt to future needs.

The rapid advancement of scientific progress requires innovative tools that can accelerate discovery. While recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short in replicating the collaborative nature of real-world scientific practices, where diverse teams of experts work together to tackle complex problems. To address the limitation, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel and impactful scientific ideas, showing potential in aligning with key insights in the Science of Science field. Our findings suggest that integrating collaborative agents can lead to more innovative scientific outputs, offering a robust system for autonomous scientific discovery.

The abilities of long-context language models (LMs) are often evaluated using the "Needle-in-a-Haystack" (NIAH) test, which comprises tasks designed to assess a model's ability to identify specific information ("needle") within large text sequences ("haystack"). While these benchmarks measure how well models understand long-context input sequences, they do not effectively gauge the quality of long-form text generation--a critical aspect for applications such as design proposals and creative writing. To address this gap, we have introduced a new long-form text evaluation benchmark, Spinning the Golden Thread (SGT), which tests models' ability to identify specific events within generated long text sequences. In this benchmark, we prompt long-context LMs to create long-form text that must include particular events or constraints and evaluate their ability to incorporate these elements. We evaluated ten long-context LMs across four distinct scenarios, three types of prompt instructions, and two different generation-length settings (16K and 32K). Although these models perform well on NIAH benchmarks, none demonstrated satisfactory performance on the Spinning the Golden Thread, raising concerns about their ability to generate coherent long-form text that follows instructions. Additionally, as the length of the generated text increases, all models exhibit a significant drop in performance.

Literature research, vital for scientific work, faces the challenge of the surging torrent of information in the vast ocean of literature exceeding researchers' processing capabilities. To address this issue, we present an automated review generation method based on Large Language Models (LLMs), aimed at overcoming efficiency bottlenecks in literature processing and reducing cognitive load. Our statistically validated evaluation framework demonstrates that the generated reviews match or exceed manual quality, offering broad applicability across research fields due to minimal domain knowledge requirements. In a case study on propane dehydrogenation (PDH) catalysts, our method swiftly analyzed 343 articles, averaging seconds per article per LLM account, producing comprehensive reviews spanning 35 topics. Extended analysis of 1041 articles provided deep insights into catalysts' composition, structure, and performance. Recognizing LLMs' hallucinations, we implemented a multi-layered quality control strategy, effectively mitigating risks and ensuring reliability, as quantitatively demonstrated through manual verification. Expert verification confirms the accuracy and citation integrity of generated reviews, demonstrating LLM hallucination risks reduced to below 0.5\% with over 95\% confidence. Released Windows application enables one-click review generation, aiding researchers in tracking advancements and recommending literature. This approach showcases LLMs' role in enhancing scientific research productivity and sets the stage for further exploration.

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

Machine learning has shown growing success in recent years. However, current machine learning systems are highly specialized, trained for particular problems or domains, and typically on a single narrow dataset. Human learning, on the other hand, is highly general and adaptable. Never-ending learning is a machine learning paradigm that aims to bridge this gap, with the goal of encouraging researchers to design machine learning systems that can learn to perform a wider variety of inter-related tasks in more complex environments. To date, there is no environment or testbed to facilitate the development and evaluation of never-ending learning systems. To this end, we propose the Jelly Bean World testbed. The Jelly Bean World allows experimentation over two-dimensional grid worlds which are filled with items and in which agents can navigate. This testbed provides environments that are sufficiently complex and where more generally intelligent algorithms ought to perform better than current state-of-the-art reinforcement learning approaches. It does so by producing non-stationary environments and facilitating experimentation with multi-task, multi-agent, multi-modal, and curriculum learning settings. We hope that this new freely-available software will prompt new research and interest in the development and evaluation of never-ending learning systems and more broadly, general intelligence systems.

We introduce the Continuum Physical Dataset (ContPhy), a novel benchmark for assessing machine physical commonsense. ContPhy complements existing physical reasoning benchmarks by encompassing the inference of diverse physical properties, such as mass and density, across various scenarios and predicting corresponding dynamics. We evaluated a range of AI models and found that they still struggle to achieve satisfactory performance on ContPhy, which shows that the current AI models still lack physical commonsense for the continuum, especially soft-bodies, and illustrates the value of the proposed dataset. We also introduce an oracle model (ContPRO) that marries the particle-based physical dynamic models with the recent large language models, which enjoy the advantages of both models, precise dynamic predictions, and interpretable reasoning. ContPhy aims to spur progress in perception and reasoning within diverse physical settings, narrowing the divide between human and machine intelligence in understanding the physical world. Project page: https://physical-reasoning-project.github.io.

The increasing threat of emerging infectious diseases and antimicrobial resistance requires more efficient, high-quality research. Perpetual Observational Studies (POS) nested within a clinical research network can improve planning, quality and efficiency of interventional and observational studies, although real-life benefits and challenges need to be assessed. Ecraid (European Clinical Research Alliance on Infectious Diseases) has initiated POS and will monitor the impact for five specific infectious syndromes.

We explore how iterative revising a chain of thoughts with the help of information retrieval significantly improves large language models' reasoning and generation ability in long-horizon generation tasks, while hugely mitigating hallucination. In particular, the proposed method -- *retrieval-augmented thoughts* (RAT) -- revises each thought step one by one with retrieved information relevant to the task query, the current and the past thought steps, after the initial zero-shot CoT is generated. Applying RAT to GPT-3.5, GPT-4, and CodeLLaMA-7b substantially improves their performances on various long-horizon generation tasks; on average of relatively increasing rating scores by 13.63% on code generation, 16.96% on mathematical reasoning, 19.2% on creative writing, and 42.78% on embodied task planning. The demo page can be found at https://craftjarvis.github.io/RAT

With an increasing number of replication studies performed in psychological science, the question of how to evaluate the outcome of a replication attempt deserves careful consideration. Bayesian approaches allow to incorporate uncertainty and prior information into the analysis of the replication attempt by their design. The Replication Bayes Factor, introduced by Verhagen & Wagenmakers (2014), provides quantitative, relative evidence in favor or against a successful replication. In previous work by Verhagen & Wagenmakers (2014) it was limited to the case of t-tests. In this paper, the Replication Bayes Factor is extended to F-tests in multi-group, fixed-effect ANOVA designs. Simulations and examples are presented to facilitate the understanding and to demonstrate the usefulness of this approach. Finally, the Replication Bayes Factor is compared to other Bayesian and frequentist approaches and discussed in the context of replication attempts. R code to calculate Replication Bayes factors and to reproduce the examples in the paper is available at https://osf.io/jv39h/.

The widespread adoption of synthetic data raises new questions about how models generating the data can influence other large language models (LLMs) via distilled data. To start, our work exhaustively characterizes the impact of passive inheritance of model properties by systematically studying the consequences of synthetic data integration. We provide one of the most comprehensive studies to-date of how the source of synthetic data shapes models' internal biases, calibration and generations' textual attributes and preferences. We find that models are surprisingly sensitive towards certain attributes even when the synthetic data prompts appear "neutral". which invites the question whether this sensitivity can be exploited for good. Our findings invite the question can we explicitly steer the models towards the properties we want at test time by exploiting the data generation process? This would have historically been considered infeasible due to the cost of collecting data with a specific characteristic or objective in mind. However, improvement in the quality of synthetic data, as well as a shift towards general-purpose models designed to follow a diverse way of instructions, means this question is timely. We propose active inheritance as a term to describe intentionally constraining synthetic data according to a non-differentiable objective. We demonstrate how active inheritance can steer the generation profiles of models towards desirable non-differentiable attributes, e.g. high lexical diversity or low toxicity.

Deep neural networks have shown excellent performances in many real-world applications. Unfortunately, they may show "Clever Hans"-like behavior---making use of confounding factors within datasets---to achieve high performance. In this work, we introduce the novel learning setting of "explanatory interactive learning" (XIL) and illustrate its benefits on a plant phenotyping research task. XIL adds the scientist into the training loop such that she interactively revises the original model via providing feedback on its explanations. Our experimental results demonstrate that XIL can help avoiding Clever Hans moments in machine learning and encourages (or discourages, if appropriate) trust into the underlying model.

To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However, their evaluations are narrow in scope, leaving a large gap in understanding the benefits of tools across diverse chemistry tasks. To bridge this gap, we develop ChemAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemAgent does not consistently outperform its base LLMs without tools. Our error analysis with a chemistry expert suggests that: For specialized chemistry tasks, such as synthesis prediction, we should augment agents with specialized tools; however, for general chemistry questions like those in exams, agents' ability to reason correctly with chemistry knowledge matters more, and tool augmentation does not always help.

Artificial intelligence is gradually demonstrating its immense potential, and increasing attention is being given to how AI can be harnessed to advance scientific research. In this vision paper, we present our perspectives on how AI can better assist scientific inquiry and explore corresponding technical approach. We have proposed and open-sourced a large model of our KALE-LM model series, Llama3-KALE-LM-Chem-8B, which has achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

In an era of increasing pressure to achieve sustainable agriculture, the optimization of livestock feed for enhancing yield and minimizing environmental impact is a paramount objective. This study presents a pioneering approach towards this goal, using rumen microbiome data to predict the efficacy of feed additives in dairy cattle. We collected an extensive dataset that includes methane emissions from 2,190 Holstein cows distributed across 34 distinct sites. The cows were divided into control and experimental groups in a double-blind, unbiased manner, accounting for variables such as age, days in lactation, and average milk yield. The experimental groups were administered one of four leading commercial feed additives: Agolin, Kexxtone, Allimax, and Relyon. Methane emissions were measured individually both before the administration of additives and over a subsequent 12-week period. To develop our predictive model for additive efficacy, rumen microbiome samples were collected from 510 cows from the same herds prior to the study's onset. These samples underwent deep metagenomic shotgun sequencing, yielding an average of 15.7 million reads per sample. Utilizing innovative artificial intelligence techniques we successfully estimated the efficacy of these feed additives across different farms. The model's robustness was further confirmed through validation with independent cohorts, affirming its generalizability and reliability. Our results underscore the transformative capability of using targeted feed additive strategies to both optimize dairy yield and milk composition, and to significantly reduce methane emissions. Specifically, our predictive model demonstrates a scenario where its application could guide the assignment of additives to farms where they are most effective. In doing so, we could achieve an average potential reduction of over 27\% in overall emissions.

We study the code generation behavior of instruction-tuned models built on top of code pre-trained language models when they could access an auxiliary function to implement a function. We design several ways to provide auxiliary functions to the models by adding them to the query or providing a response prefix to incorporate the ability to utilize auxiliary functions with the instruction-following capability. Our experimental results show the effectiveness of combining the base models' auxiliary function utilization ability with the instruction following ability. In particular, the performance of adopting our approaches with the open-sourced language models surpasses that of the recent powerful proprietary language models, i.e., gpt-4o.

Existing foundation models are trained on copyrighted material. Deploying these models can pose both legal and ethical risks when data creators fail to receive appropriate attribution or compensation. In the United States and several other countries, copyrighted content may be used to build foundation models without incurring liability due to the fair use doctrine. However, there is a caveat: If the model produces output that is similar to copyrighted data, particularly in scenarios that affect the market of that data, fair use may no longer apply to the output of the model. In this work, we emphasize that fair use is not guaranteed, and additional work may be necessary to keep model development and deployment squarely in the realm of fair use. First, we survey the potential risks of developing and deploying foundation models based on copyrighted content. We review relevant U.S. case law, drawing parallels to existing and potential applications for generating text, source code, and visual art. Experiments confirm that popular foundation models can generate content considerably similar to copyrighted material. Second, we discuss technical mitigations that can help foundation models stay in line with fair use. We argue that more research is needed to align mitigation strategies with the current state of the law. Lastly, we suggest that the law and technical mitigations should co-evolve. For example, coupled with other policy mechanisms, the law could more explicitly consider safe harbors when strong technical tools are used to mitigate infringement harms. This co-evolution may help strike a balance between intellectual property and innovation, which speaks to the original goal of fair use. But we emphasize that the strategies we describe here are not a panacea and more work is needed to develop policies that address the potential harms of foundation models.

Aiming to produce reinforcement learning (RL) policies that are human-interpretable and can generalize better to novel scenarios, Trivedi et al. (2021) present a method (LEAPS) that first learns a program embedding space to continuously parameterize diverse programs from a pre-generated program dataset, and then searches for a task-solving program in the learned program embedding space when given a task. Despite the encouraging results, the program policies that LEAPS can produce are limited by the distribution of the program dataset. Furthermore, during searching, LEAPS evaluates each candidate program solely based on its return, failing to precisely reward correct parts of programs and penalize incorrect parts. To address these issues, we propose to learn a meta-policy that composes a series of programs sampled from the learned program embedding space. By learning to compose programs, our proposed hierarchical programmatic reinforcement learning (HPRL) framework can produce program policies that describe out-of-distributionally complex behaviors and directly assign credits to programs that induce desired behaviors. The experimental results in the Karel domain show that our proposed framework outperforms baselines. The ablation studies confirm the limitations of LEAPS and justify our design choices.

We present BabyLlama-2, a 345 million parameter model distillation-pretrained from two teachers on a 10 million word corpus for the BabyLM competition. On BLiMP and SuperGLUE benchmarks, BabyLlama-2 outperforms baselines trained on both 10 and 100 million word datasets with the same data mix, as well as its teacher models. Through an extensive hyperparameter sweep, we demonstrate that the advantages of distillation cannot be attributed to suboptimal hyperparameter selection of the teachers. Our findings underscore the need for further investigation into distillation techniques, particularly in data-limited settings.

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and reasoning on textbook-style science questions, but few if any benchmarks are designed to evaluate language model performance on practical tasks required for scientific research, such as literature search, protocol planning, and data analysis. As a step toward building such benchmarks, we introduce the Language Agent Biology Benchmark (LAB-Bench), a broad dataset of over 2,400 multiple choice questions for evaluating AI systems on a range of practical biology research capabilities, including recall and reasoning over literature, interpretation of figures, access and navigation of databases, and comprehension and manipulation of DNA and protein sequences. Importantly, in contrast to previous scientific benchmarks, we expect that an AI system that can achieve consistently high scores on the more difficult LAB-Bench tasks would serve as a useful assistant for researchers in areas such as literature search and molecular cloning. As an initial assessment of the emergent scientific task capabilities of frontier language models, we measure performance of several against our benchmark and report results compared to human expert biology researchers. We will continue to update and expand LAB-Bench over time, and expect it to serve as a useful tool in the development of automated research systems going forward. A public subset of LAB-Bench is available for use at the following URL: https://huggingface.co/datasets/futurehouse/lab-bench

This paper presents panda-gym, a set of Reinforcement Learning (RL) environments for the Franka Emika Panda robot integrated with OpenAI Gym. Five tasks are included: reach, push, slide, pick & place and stack. They all follow a Multi-Goal RL framework, allowing to use goal-oriented RL algorithms. To foster open-research, we chose to use the open-source physics engine PyBullet. The implementation chosen for this package allows to define very easily new tasks or new robots. This paper also presents a baseline of results obtained with state-of-the-art model-free off-policy algorithms. panda-gym is open-source and freely available at https://github.com/qgallouedec/panda-gym.

Exposure to large language model output is rapidly increasing. How will seeing AI-generated ideas affect human ideas? We conducted an experiment (800+ participants, 40+ countries) where participants viewed creative ideas that were from ChatGPT or prior experimental participants and then brainstormed their own idea. We varied the number of AI-generated examples (none, low, or high exposure) and if the examples were labeled as 'AI' (disclosure). Our dynamic experiment design -- ideas from prior participants in an experimental condition are used as stimuli for future participants in the same experimental condition -- mimics the interdependent process of cultural creation: creative ideas are built upon prior ideas. Hence, we capture the compounding effects of having LLMs 'in the culture loop'. We find that high AI exposure (but not low AI exposure) did not affect the creativity of individual ideas but did increase the average amount and rate of change of collective idea diversity. AI made ideas different, not better. There were no main effects of disclosure. We also found that self-reported creative people were less influenced by knowing an idea was from AI, and that participants were more likely to knowingly adopt AI ideas when the task was difficult. Our findings suggest that introducing AI ideas into society may increase collective diversity but not individual creativity.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

We present ScienceWorld, a benchmark to test agents' scientific reasoning abilities in a new interactive text environment at the level of a standard elementary school science curriculum. Despite the transformer-based progress seen in question-answering and scientific text processing, we find that current models cannot reason about or explain learned science concepts in novel contexts. For instance, models can easily answer what the conductivity of a known material is but struggle when asked how they would conduct an experiment in a grounded environment to find the conductivity of an unknown material. This begs the question of whether current models are simply retrieving answers by way of seeing a large number of similar examples or if they have learned to reason about concepts in a reusable manner. We hypothesize that agents need to be grounded in interactive environments to achieve such reasoning capabilities. Our experiments provide empirical evidence supporting this hypothesis -- showing that a 1.5 million parameter agent trained interactively for 100k steps outperforms a 11 billion parameter model statically trained for scientific question-answering and reasoning from millions of expert demonstrations.

Human intelligence emerged through the process of natural selection and evolution on Earth. We investigate what it would take to re-create this process in silico. While past work has often focused on low-level processes (such as simulating physics or chemistry), we instead take a more targeted approach, aiming to evolve agents that can accumulate open-ended culture and technologies across generations. Towards this, we present JaxLife: an artificial life simulator in which embodied agents, parameterized by deep neural networks, must learn to survive in an expressive world containing programmable systems. First, we describe the environment and show that it can facilitate meaningful Turing-complete computation. We then analyze the evolved emergent agents' behavior, such as rudimentary communication protocols, agriculture, and tool use. Finally, we investigate how complexity scales with the amount of compute used. We believe JaxLife takes a step towards studying evolved behavior in more open-ended simulations. Our code is available at https://github.com/luchris429/JaxLife

We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy dataset expands the volume and diversity of existing molecular datasets. Our extensive benchmarks of the state-of-the-art graph neural network models on Alchemy clearly manifest the usefulness of new data in validating and developing machine learning models for chemistry and material science. We further launch a contest to attract attentions from researchers in the related fields. More details can be found on the contest website https://alchemy.tencent.com. At the time of benchamrking experiment, we have generated 119,487 molecules in our Alchemy dataset. More molecular samples are generated since then. Hence, we provide a list of molecules used in the reported benchmarks.

A Recurrent Neural Network (RNN) was used to perform video frame prediction of microbial growth for a population of two mutants of Pseudomonas aeruginosa. The RNN was trained on videos of 20 frames that were acquired using fluorescence microscopy and microfluidics. The network predicted the last 10 frames of each video, and the accuracy's of the predictions was assessed by comparing raw images, population curves, and the number and size of individual colonies. Overall, we found the predictions to be accurate using this approach. The implications this result has on designing autonomous experiments in microbiology, and the steps that can be taken to make the predictions even more accurate, are discussed.

Knowledge of mixtures' phase equilibria is crucial in nature and technical chemistry. Phase equilibria calculations of mixtures require activity coefficients. However, experimental data on activity coefficients is often limited due to high cost of experiments. For an accurate and efficient prediction of activity coefficients, machine learning approaches have been recently developed. However, current machine learning approaches still extrapolate poorly for activity coefficients of unknown molecules. In this work, we introduce the SMILES-to-Properties-Transformer (SPT), a natural language processing network to predict binary limiting activity coefficients from SMILES codes. To overcome the limitations of available experimental data, we initially train our network on a large dataset of synthetic data sampled from COSMO-RS (10 Million data points) and then fine-tune the model on experimental data (20 870 data points). This training strategy enables SPT to accurately predict limiting activity coefficients even for unknown molecules, cutting the mean prediction error in half compared to state-of-the-art models for activity coefficient predictions such as COSMO-RS, UNIFAC, and improving on recent machine learning approaches.

Large Language Model (LLM)-based applications are graduating from research prototypes to products serving millions of users, influencing how people write and consume information. A prominent example is the appearance of Answer Engines: LLM-based generative search engines supplanting traditional search engines. Answer engines not only retrieve relevant sources to a user query but synthesize answer summaries that cite the sources. To understand these systems' limitations, we first conducted a study with 21 participants, evaluating interactions with answer vs. traditional search engines and identifying 16 answer engine limitations. From these insights, we propose 16 answer engine design recommendations, linked to 8 metrics. An automated evaluation implementing our metrics on three popular engines (You.com, Perplexity.ai, BingChat) quantifies common limitations (e.g., frequent hallucination, inaccurate citation) and unique features (e.g., variation in answer confidence), with results mirroring user study insights. We release our Answer Engine Evaluation benchmark (AEE) to facilitate transparent evaluation of LLM-based applications.

Broad textual understanding and in-context learning require language models that utilize full document contexts. Due to the implementation challenges associated with directly training long-context models, many methods have been proposed for extending models to handle long contexts. However, owing to differences in data and model classes, it has been challenging to compare these approaches, leading to uncertainty as to how to evaluate long-context performance and whether it differs from standard evaluation. We implement a controlled protocol for extension methods with a standardized evaluation, utilizing consistent base models and extension data. Our study yields several insights into long-context behavior. First, we reaffirm the critical role of perplexity as a general-purpose performance indicator even in longer-context tasks. Second, we find that current approximate attention methods systematically underperform across long-context tasks. Finally, we confirm that exact fine-tuning based methods are generally effective within the range of their extension, whereas extrapolation remains challenging. All codebases, models, and checkpoints will be made available open-source, promoting transparency and facilitating further research in this critical area of AI development.

We introduce a new challenge to test the STEM skills of neural models. The problems in the real world often require solutions, combining knowledge from STEM (science, technology, engineering, and math). Unlike existing datasets, our dataset requires the understanding of multimodal vision-language information of STEM. Our dataset features one of the largest and most comprehensive datasets for the challenge. It includes 448 skills and 1,073,146 questions spanning all STEM subjects. Compared to existing datasets that often focus on examining expert-level ability, our dataset includes fundamental skills and questions designed based on the K-12 curriculum. We also add state-of-the-art foundation models such as CLIP and GPT-3.5-Turbo to our benchmark. Results show that the recent model advances only help master a very limited number of lower grade-level skills (2.5% in the third grade) in our dataset. In fact, these models are still well below (averaging 54.7%) the performance of elementary students, not to mention near expert-level performance. To understand and increase the performance on our dataset, we teach the models on a training split of our dataset. Even though we observe improved performance, the model performance remains relatively low compared to average elementary students. To solve STEM problems, we will need novel algorithmic innovations from the community.

Addressing the challenge of effectively processing long contexts has become a critical issue for Large Language Models (LLMs). Two common strategies have emerged: 1) reducing the input length, such as retrieving relevant chunks by Retrieval-Augmented Generation (RAG), and 2) expanding the context window limit of LLMs. However, both strategies have drawbacks: input reduction has no guarantee of covering the part with needed information, while window extension struggles with focusing on the pertinent information for solving the task. To mitigate these limitations, we propose Chain-of-Agents (CoA), a novel framework that harnesses multi-agent collaboration through natural language to enable information aggregation and context reasoning across various LLMs over long-context tasks. CoA consists of multiple worker agents who sequentially communicate to handle different segmented portions of the text, followed by a manager agent who synthesizes these contributions into a coherent final output. CoA processes the entire input by interleaving reading and reasoning, and it mitigates long context focus issues by assigning each agent a short context. We perform comprehensive evaluation of CoA on a wide range of long-context tasks in question answering, summarization, and code completion, demonstrating significant improvements by up to 10% over strong baselines of RAG, Full-Context, and multi-agent LLMs.

Full quantum tomography of high-dimensional quantum systems is experimentally infeasible due to the exponential scaling of the number of required measurements on the number of qubits in the system. However, several ideas were proposed recently for predicting the limited number of features for these states, or estimating the expectation values of operators, without the need for full state reconstruction. These ideas go under the general name of shadow tomography. Here we provide an experimental demonstration of property estimation based on classical shadows proposed in [H.-Y. Huang, R. Kueng, J. Preskill. Nat. Phys. https://doi.org/10.1038/s41567-020-0932-7 (2020)] and study its performance in the quantum optical experiment with high-dimensional spatial states of photons. We show on experimental data how this procedure outperforms conventional state reconstruction in fidelity estimation from a limited number of measurements.

The ambition of harnessing the quantum for computation is at odds with the fundamental phenomenon of decoherence. The purpose of quantum error correction (QEC) is to counteract the natural tendency of a complex system to decohere. This cooperative process, which requires participation of multiple quantum and classical components, creates a special type of dissipation that removes the entropy caused by the errors faster than the rate at which these errors corrupt the stored quantum information. Previous experimental attempts to engineer such a process faced an excessive generation of errors that overwhelmed the error-correcting capability of the process itself. Whether it is practically possible to utilize QEC for extending quantum coherence thus remains an open question. We answer it by demonstrating a fully stabilized and error-corrected logical qubit whose quantum coherence is significantly longer than that of all the imperfect quantum components involved in the QEC process, beating the best of them with a coherence gain of G = 2.27 pm 0.07. We achieve this performance by combining innovations in several domains including the fabrication of superconducting quantum circuits and model-free reinforcement learning.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth. To address this, this paper conducts a comprehensive survey of diffusion model-based molecular generative methods. We systematically review the research from the perspectives of methodological formulations, data modalities, and task types, offering a novel taxonomy. This survey aims to facilitate understanding and further flourishing development in this area. The relevant papers are summarized at: https://github.com/AzureLeon1/awesome-molecular-diffusion-models.

The classical Coulomb gas model has served as one of the most versatile frameworks in statistical physics, connecting a vast range of phenomena across many different areas. Nonequilibrium generalisations of this model have so far been studied much more scarcely. With the abundance of contemporary research into active and driven systems, one would naturally expect that such generalisations of systems with long-ranged Coulomb-like interactions will form a fertile playground for interesting developments. Here, we present two examples of novel macroscopic behaviour that arise from nonequilibrium fluctuations in long-range interacting systems, namely (1) unscreened long-ranged correlations in strong electrolytes driven by an external electric field and the associated fluctuation-induced forces in the confined Casimir geometry, and (2) out-of-equilibrium critical behaviour in self-chemotactic models that incorporate the particle polarity in the chemotactic response of the cells. Both of these systems have nonlocal Coulomb-like interactions among their constituent particles, namely, the electrostatic interactions in the case of the driven electrolyte, and the chemotactic forces mediated by fast-diffusing signals in the case of self-chemotactic systems. The results presented here hint to the rich phenomenology of nonequilibrium effects that can arise from strong fluctuations in Coulomb interacting systems, and a rich variety of potential future directions, which are discussed.

Large Language Models (LLMs) have become ubiquitous across various domains, transforming the way we interact with information and conduct research. However, most high-performing LLMs remain confined behind proprietary walls, hindering scientific progress. Most open-source LLMs, on the other hand, are limited in their ability to support longer sequence lengths, which is a key requirement for many tasks that require inference over an input context. To address this, we have trained XGen, a series of 7B parameter models on up to 8K sequence length for up to 1.5T tokens. We have also finetuned the XGen models on public-domain instructional data, creating their instruction-tuned counterparts (XGen-Inst). We open-source our models for both research advancements and commercial applications. Our evaluation on standard benchmarks shows that XGen models achieve comparable or better results when compared with state-of-the-art open-source LLMs. Our targeted evaluation on long sequence modeling tasks shows the benefits of our 8K-sequence models over 2K-sequence open-source LLMs.

There is a consensus that instruction fine-tuning of LLMs requires high-quality data, but what are they? LIMA (NeurIPS 2023) and AlpaGasus (ICLR 2024) are state-of-the-art methods for selecting such high-quality examples, either via manual curation or using GPT-3.5-Turbo as a quality scorer. We show that the extremely simple baseline of selecting the 1,000 instructions with longest responses from standard datasets can consistently outperform these sophisticated methods according to GPT-4 and PaLM-2 as judges, while remaining competitive on the OpenLLM benchmarks that test factual knowledge. We demonstrate this for several state-of-the-art LLMs (Llama-2-7B, Llama-2-13B, and Mistral-7B) and datasets (Alpaca-52k and Evol-Instruct-70k). In addition, a lightweight refinement of such long instructions can further improve the abilities of the fine-tuned LLMs, and allows us to obtain the 2nd highest-ranked Llama-2-7B-based model on AlpacaEval 2.0 while training on only 1,000 examples and no extra preference data. We also conduct a thorough analysis of our models to ensure that their enhanced performance is not simply due to GPT-4's preference for longer responses, thus ruling out any artificial improvement. In conclusion, our findings suggest that fine-tuning on the longest instructions should be the default baseline for any research on instruction fine-tuning.

To deepen our understanding of Quantum Gravity and its connections with black holes and cosmology, building a common language and exchanging ideas across different approaches is crucial. The Nordita Program "Quantum Gravity: from gravitational effective field theories to ultraviolet complete approaches" created a platform for extensive discussions, aimed at pinpointing both common grounds and sources of disagreements, with the hope of generating ideas and driving progress in the field. This contribution summarizes the twelve topical discussions held during the program and collects individual thoughts of speakers and panelists on the future of the field in light of these discussions.

As machine learning and algorithmic decision making systems are increasingly being leveraged in high-stakes human-in-the-loop settings, there is a pressing need to understand the rationale of their predictions. Researchers have responded to this need with explainable AI (XAI), but often proclaim interpretability axiomatically without evaluation. When these systems are evaluated, they are often tested through offline simulations with proxy metrics of interpretability (such as model complexity). We empirically evaluate the veracity of three common interpretability assumptions through a large scale human-subjects experiment with a simple "placebo explanation" control. We find that feature attribution explanations provide marginal utility in our task for a human decision maker and in certain cases result in worse decisions due to cognitive and contextual confounders. This result challenges the assumed universal benefit of applying these methods and we hope this work will underscore the importance of human evaluation in XAI research. Supplemental materials -- including anonymized data from the experiment, code to replicate the study, an interactive demo of the experiment, and the models used in the analysis -- can be found at: https://doi.pizza/challenging-xai.

Large Language Models (LLMs) are increasingly helpful in text generation, even writing code in programming languages based on user prompts written in natural language. They are even applied to generate simulation models for multibody systems from natural language. Research results suggest that LLMs surpass the mere replication of existing code examples, where some LLMs have been trained on an open-source multibody simulation code. However, for closed-source simulation software, such results are not to be expected as their ideas and concepts might differ from other publicly available ones. LLMs can hallucinate for knowledge-intensive tasks, such as model creation, which can lead to wrong responses. This is especially the case for the LLM unknown closed-source simulation software. The same applies to other internal knowledge kept private to protect intellectual property or data privacy. The Retrieval-Augmented Generation (RAG) approach might yield a solution for these knowledge-intensive tasks. This paper explores the application of RAG to closed-source simulation software and presents first experiments. After a brief introduction to LLMs, the RAG approach, and the simulation method applied by the close-source simulation software, several examples are provided to test LLMs' knowledge of the simulation software and the creation of simulation models using two RAG systems. The examples show promising results indicating the benefits of applying RAG systems to closed-source simulation software, helping to access their knowledge. Nevertheless, they also reveal gaps in the applied information and open questions for further research.

Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired researchers to explore how AI can accelerate and enhance research. To monitor relevant advancements, this paper presents a systematic review of the progress in this domain. Specifically, we organize the relevant studies into three main categories: hypothesis formulation, hypothesis validation, and manuscript publication. Hypothesis formulation involves knowledge synthesis and hypothesis generation. Hypothesis validation includes the verification of scientific claims, theorem proving, and experiment validation. Manuscript publication encompasses manuscript writing and the peer review process. Furthermore, we identify and discuss the current challenges faced in these areas, as well as potential future directions for research. Finally, we also offer a comprehensive overview of existing benchmarks and tools across various domains that support the integration of AI into the research process. We hope this paper serves as an introduction for beginners and fosters future research. Resources have been made publicly available at https://github.com/zkzhou126/AI-for-Research.

The industry is rich in cases when we are required to make forecasting for large amounts of time series at once. However, we might be in a situation where we can not afford to train a separate model for each of them. Such issue in time series modeling remains without due attention. The remedy for this setting is the establishment of a foundation model. Such a model is expected to work in zero-shot and few-shot regimes. However, what should we take as a training dataset for such kind of model? Witnessing the benefits from the enrichment of NLP datasets with artificially-generated data, we might want to adopt their experience for time series. In contrast to natural language, the process of generation of synthetic time series data is even more favorable because it provides full control of series patterns, time horizons, and number of samples. In this work, we consider the essential question if it is advantageous to train a foundation model on synthetic data or it is better to utilize only a limited number of real-life examples. Our experiments are conducted only for regular time series and speak in favor of leveraging solely the real time series. Moreover, the choice of the proper source dataset strongly influences the performance during inference. When provided access even to a limited quantity of short time series data, employing it within a supervised framework yields more favorable results than training on a larger volume of synthetic data. The code for our experiments is publicly available on Github https://github.com/sb-ai-lab/synthesize_or_not.

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.

Model-Based Reinforcement Learning (RL) is widely believed to have the potential to improve sample efficiency by allowing an agent to synthesize large amounts of imagined experience. Experience Replay (ER) can be considered a simple kind of model, which has proved extremely effective at improving the stability and efficiency of deep RL. In principle, a learned parametric model could improve on ER by generalizing from real experience to augment the dataset with additional plausible experience. However, owing to the many design choices involved in empirically successful algorithms, it can be very hard to establish where the benefits are actually coming from. Here, we provide theoretical and empirical insight into when, and how, we can expect data generated by a learned model to be useful. First, we provide a general theorem motivating how learning a model as an intermediate step can narrow down the set of possible value functions more than learning a value function directly from data using the Bellman equation. Second, we provide an illustrative example showing empirically how a similar effect occurs in a more concrete setting with neural network function approximation. Finally, we provide extensive experiments showing the benefit of model-based learning for online RL in environments with combinatorial complexity, but factored structure that allows a learned model to generalize. In these experiments, we take care to control for other factors in order to isolate, insofar as possible, the benefit of using experience generated by a learned model relative to ER alone.

There are various methods for adapting LLMs to different domains. The most common methods are prompting, finetuning, and RAG. In this work, we explore the possibility of adapting a model using one of the PEFT methods - QLoRA. The experiment aims to simulate human responses based on their interviews. The simulation quality is assessed by comparing the quality of the style and the quality of the generated facts.

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and potentially accelerate biomedical discovery. In this paper, we present a comprehensive evaluation of LLMs as biomedical hypothesis generators. We construct a dataset of background-hypothesis pairs from biomedical literature, carefully partitioned into training, seen, and unseen test sets based on publication date to mitigate data contamination. Using this dataset, we assess the hypothesis generation capabilities of top-tier instructed models in zero-shot, few-shot, and fine-tuning settings. To enhance the exploration of uncertainty, a crucial aspect of scientific discovery, we incorporate tool use and multi-agent interactions in our evaluation framework. Furthermore, we propose four novel metrics grounded in extensive literature review to evaluate the quality of generated hypotheses, considering both LLM-based and human assessments. Our experiments yield two key findings: 1) LLMs can generate novel and validated hypotheses, even when tested on literature unseen during training, and 2) Increasing uncertainty through multi-agent interactions and tool use can facilitate diverse candidate generation and improve zero-shot hypothesis generation performance. However, we also observe that the integration of additional knowledge through few-shot learning and tool use may not always lead to performance gains, highlighting the need for careful consideration of the type and scope of external knowledge incorporated. These findings underscore the potential of LLMs as powerful aids in biomedical hypothesis generation and provide valuable insights to guide further research in this area.

The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the most important outstanding challenges in chemistry. Encouraged by the recent surge in computer power and artificial intelligence development, many algorithms have been developed to tackle this problem. However, despite the emergence of many new approaches in recent years, comparatively little progress has been made in developing realistic benchmarks that reflect the complexity of molecular design for real-world applications. In this work, we develop a set of practical benchmark tasks relying on physical simulation of molecular systems mimicking real-life molecular design problems for materials, drugs, and chemical reactions. Additionally, we demonstrate the utility and ease of use of our new benchmark set by demonstrating how to compare the performance of several well-established families of algorithms. Surprisingly, we find that model performance can strongly depend on the benchmark domain. We believe that our benchmark suite will help move the field towards more realistic molecular design benchmarks, and move the development of inverse molecular design algorithms closer to designing molecules that solve existing problems in both academia and industry alike.

Despite the remarkable ability of large language models (LMs) to comprehend and generate language, they have a tendency to hallucinate and create factually inaccurate output. Augmenting LMs by retrieving information from external knowledge resources is one promising solution. Most existing retrieval augmented LMs employ a retrieve-and-generate setup that only retrieves information once based on the input. This is limiting, however, in more general scenarios involving generation of long texts, where continually gathering information throughout generation is essential. In this work, we provide a generalized view of active retrieval augmented generation, methods that actively decide when and what to retrieve across the course of the generation. We propose Forward-Looking Active REtrieval augmented generation (FLARE), a generic method which iteratively uses a prediction of the upcoming sentence to anticipate future content, which is then utilized as a query to retrieve relevant documents to regenerate the sentence if it contains low-confidence tokens. We test FLARE along with baselines comprehensively over 4 long-form knowledge-intensive generation tasks/datasets. FLARE achieves superior or competitive performance on all tasks, demonstrating the effectiveness of our method. Code and datasets are available at https://github.com/jzbjyb/FLARE.

Large Language Models (LLMs) have shown significant promise as copilots in various tasks. Local deployment of LLMs on edge devices is necessary when handling privacy-sensitive data or latency-sensitive tasks. The computational constraints of such devices make direct deployment of powerful large-scale LLMs impractical, necessitating the Knowledge Distillation from large-scale models to lightweight models. Lots of work has been done to elicit diversity and quality training examples from LLMs, but little attention has been paid to aligning teacher instructional content based on student preferences, akin to "responsive teaching" in pedagogy. Thus, we propose ARTE, dubbed Aligning TeacheR with StudenT PreferencEs, a framework that aligns the teacher model with student preferences to generate tailored training examples for Knowledge Distillation. Specifically, we elicit draft questions and rationales from the teacher model, then collect student preferences on these questions and rationales using students' performance with in-context learning as a proxy, and finally align the teacher model with student preferences. In the end, we repeat the first step with the aligned teacher model to elicit tailored training examples for the student model on the target task. Extensive experiments on academic benchmarks demonstrate the superiority of ARTE over existing instruction-tuning datasets distilled from powerful LLMs. Moreover, we thoroughly investigate the generalization of ARTE, including the generalization of fine-tuned student models in reasoning ability and the generalization of aligned teacher models to generate tailored training data across tasks and students. In summary, our contributions lie in proposing a novel framework for tailored training example generation, demonstrating its efficacy in experiments, and investigating the generalization of both student & aligned teacher models in ARTE.

Clinical trial matching is the task of identifying trials for which patients may be potentially eligible. Typically, this task is labor-intensive and requires detailed verification of patient electronic health records (EHRs) against the stringent inclusion and exclusion criteria of clinical trials. This process is manual, time-intensive, and challenging to scale up, resulting in many patients missing out on potential therapeutic options. Recent advancements in Large Language Models (LLMs) have made automating patient-trial matching possible, as shown in multiple concurrent research studies. However, the current approaches are confined to constrained, often synthetic datasets that do not adequately mirror the complexities encountered in real-world medical data. In this study, we present the first, end-to-end large-scale empirical evaluation of clinical trial matching using real-world EHRs. Our study showcases the capability of LLMs to accurately match patients with appropriate clinical trials. We perform experiments with proprietary LLMs, including GPT-4 and GPT-3.5, as well as our custom fine-tuned model called OncoLLM and show that OncoLLM, despite its significantly smaller size, not only outperforms GPT-3.5 but also matches the performance of qualified medical doctors. All experiments were carried out on real-world EHRs that include clinical notes and available clinical trials from a single cancer center in the United States.

I argue that data becomes temporarily interesting by itself to some self-improving, but computationally limited, subjective observer once he learns to predict or compress the data in a better way, thus making it subjectively simpler and more beautiful. Curiosity is the desire to create or discover more non-random, non-arbitrary, regular data that is novel and surprising not in the traditional sense of Boltzmann and Shannon but in the sense that it allows for compression progress because its regularity was not yet known. This drive maximizes interestingness, the first derivative of subjective beauty or compressibility, that is, the steepness of the learning curve. It motivates exploring infants, pure mathematicians, composers, artists, dancers, comedians, yourself, and (since 1990) artificial systems.