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<article xmlns:xlink="http://www.w3.org/1999/xlink">
  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Zero-shot Hybrid Retrieval and Reranking Models for Biomedical Literature</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Jing Lu</string-name>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Ji Ma</string-name>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Keith Hall</string-name>
          <email>kbhall@google.com</email>
        </contrib>
      </contrib-group>
      <abstract>
        <p>We describe our participating system in the document retrieval sub-task (Task B Phase A) at the 10th BioASQ challenge. We designed and implemented a zero-shot hybrid model using only synthetic training data. The model consists of two stages: retrieval and reranking. The retrieval model is a hybrid of sparse and dense retrieval models, which is an extension of our participating system at 8th BioASQ challenge. We improved the dense retrieval model with a T5-based synthetic question generation model and an iterative training strategy involving techniques to filter low-quality synthetic data. In the second stage, we proposed a hybrid reranking model, which is trained using the candidates retrieved from the first stage. We further explored whether the knowledge from the hybrid reranking model can be transferred to the dense retrieval model through distillation. Our experiments show the proposed hybrid ranking model is efective even when applied to diferent first-stage retrieval models. Furthermore, we explored the combination of diferent systems via reciprocal rank fusion and achieved additional accuracy gains. Evaluation shows that our model compares favorably with the top participating system, achieving MAP scores of 0.4696, 0.3984, 0.4586, 0.4089, 0.4065 and 0.1704 on six batches.</p>
      </abstract>
      <kwd-group>
        <kwd>eol&gt;document retrieval</kwd>
        <kwd>reranking</kwd>
        <kwd>question generation</kwd>
        <kwd>BioASQ</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Introduction</title>
      <p>
        We participated in the document retrieval sub-task (Task B Phase A) at the 10th BioASQ
challenge. The task aims to retrieve relevant articles from PubMed1 to biomedical questions
constructed by a team of biomedical experts. In this paper, we present our system developed
for this task. We designed and implemented a zero-shot hybrid model which consists of two
stages: retrieval and reranking, and uses only synthetic training data. Our contributions in
this paper are three-fold. First, we show the efectiveness of a zero-shot model which doesn’t
need any labeled data from the biomedical domain. Second, many prior works explore the
two-stage models[
        <xref ref-type="bibr" rid="ref1 ref2 ref3">1, 2, 3</xref>
        ], but they use either a sparse model (e.g., BM25) or a dense model
(e.g., a dense neural retriever) to generate training data for training the reranker. We show that
by training a reranker from a hybrid retriever, the reranker not only performs better when
presented with results from a hybrid retriever, but it performs very well with results from other
retrievers. The observed efect is that the reranker is able to capture both term matching as well
as semantic matching. Results on 3 out of 6 test batches outperform other participating systems
showing the efectiveness of our proposed model. Third, we investigate the distillation of the
hybrid reranking model to a dense retrieval model. The distilled dense model outperforms the
non-distilled dense model and sparse model on the development set.
      </p>
    </sec>
    <sec id="sec-2">
      <title>2. Model</title>
      <p>In this section, we describe our system, which consists of two stages: retrieval and reranking.
In both stages, our model relies on language models pretrained on PubMed articles (Section 2.1).
In the retrieval stage, we use a model which is a hybrid of BM25 and a dual encoder model
(Section 2.2). In the reranking stage, we use a cross-attention model with ranking loss, which is
trained using the candidates retrieved from the first stage (Section 2.3). In addition, we explore
transferring the knowledge from the reranking model to the dual encoder model through
distillation (Section 2.4).</p>
      <sec id="sec-2-1">
        <title>2.1. Pretrained Language Model</title>
        <p>Language models such as GPT[4, 5, 6], BERT [7] and T5[8] pre-trained on large scale corpora
provide rich knowledge for many downstream NLP tasks. For the biomedical domain,
previous research shows that language models adapted on biomedical corpora can bring further
improvement on biomedical NLP tasks [9]. In this work, we use domain adapted BERT-based
and T5-based models for retrieval and reranking models.</p>
        <p>The BERT-based model is pre-trained from scratch using PubMed abstracts along with the
commercial Open-Access PubMed Central corpus as distributed by the National Library of
Medicine; we refer it as PubMed_BERT. We created a specialized wordpiece vocabulary from the
training corpus containing 107137 entries. The PubMed_BERT model consists of 12 transformer
[10] layers, each with hidden size 1024 and 16 attention heads. We use the same sentence
sampling procedure as reported in the original BERT paper, e.g., the combined sequence has
length no longer than 512 tokens, and we uniformly mask 15% of the tokens from each sequence
for masked language model prediction. We update the next sentence prediction task with softmax
cross-entropy loss. We use the same hyper-parameter values for BERT pretraining except that
the learning rate is set 2e-5, and the model is trained for 300,000 steps.</p>
        <p>We also fine-tune a T5 model on PubMed abstracts using the span corruption task [ 8]. We
refer it as PubMed_T5. Specifically, we set the max input and target length to 512 and 114
respectively. We tune the T5.1.1.xl model2 for 1 million steps with a learning rate of 0.01 and
dropout rate 0.1.</p>
      </sec>
      <sec id="sec-2-2">
        <title>2.2. Hybrid Retrieval Model</title>
        <p>We extend our hybrid first-stage retrieval model used in the 8th BioASQ challenge [ 11].
Specifically, we use a BM25 model as the sparse retrieval model and a dual encoder model as the dense
retrieval model. We cast both models as vector similarity via nearest neighbor search and create
hybrid encodings which are a concatenation of the BM25 and dual encoder encodings. We refer
the reader to the original paper for more details. We briefly describe the model and focus on
the extension in this section.</p>
        <p>For the BM25 model, we represent each question as a | |-dimensional binary encoding qbm25,
where qbm25[] is 1 if the i-th entry of vocabulary  is in the question, 0 otherwise. We represent
each passage as a sparse real-valued vector pbm25:</p>
        <p>IDF() * cnt(,  ) * ( + 1)
cnt(,  ) +  * (1 −  +  * avg ) .
where  are tokens from passage  , cnt(,  ) is ’s term frequency in  , / are BM25
hyperparameters, IDF is the term’s inverse document frequency from the document collection,
 are the number of tokens in  , and avg is the collection’s average passage length. We use
vector dot-product to measure the question and passage relevance.</p>
        <p>Our dual encoder model is based on BERT [7]. To encode a question, we feed the question
text to the BERT model and apply a fully-connected (FC) layer of size 768 to the [CLS] token
embedding. The output of the FC layer is used as the question encoding qde. A passage encoding
pde is generated in a similar way but we concatenate the document and corresponding document
title as the input to the BERT model: [CLS] title [SEP] passage [SEP]. The question to passage
relevance is computed by the cosine similarity of their vectors.</p>
        <p>Following our previous work [12], we train our dual encoder models using synthetically
generated questions. We apply a question generation model (QGen) to the abstracts of PubMed
articles to generate (synthetic question, passage) pairs. We then use these data to train a dual
encoder model 0. To filter low quality questions, we adapt the roundtrip consistency [ 13, 14]
idea to retrieval. Given a synthetic question in the training data, we run 1-nearest neighbor
search based on scores between the question and all passages using 0. If the neighbor is the
one from which the question is generated, we keep that (question, passage). Otherwise, the
(question, passage) pair is filtered. With the filtered data, we continue fine tune 0 to get the
ifnal dual encoder model 1.</p>
        <p>We use two QGen models in this work, namely NQ_QGen and SQuAD_QGen, created by
finetuning a general T5 model using the question and passage pairs from Natural Question(NQ)[15]
and SQuAD[16], respectively. Particularly, we form the input as “Generate question &gt;&gt;&gt;
title.passage &gt;&gt;&gt; target sentence”, and the output is the corresponding question. Here “target
sentence” is the sentence that contains the short answer span, and “passage” corresponds to
long answer and the passage of NQ and SQuAD respectively. At inference time, given a PubMed
abstract, we iterate over every sentence as the target to generate diverse questions. We generate
synthetic questions from each of the QGen models and our preliminary experiment shows that
mixing them as the training data for dual encoder models result in better performance than
using synthetic training data from each individual model.</p>
        <p>To benefit from both sparse model and dense neural model, we create the hybrid model by
combining the encodings from two models in a principled way:
sim(qhyb, phyb) = ⟨qhyb, phyb⟩
= ⟨[qbm25,  qde], [pbm25, pde]⟩
= ⟨qbm25, pbm25⟩ +  ⟨qde, pde⟩,
where qhyb and phyb are the hybrid encodings that concatenate the BM25 (qbm25/pbm25) and the
dual encoder encodings (qde/pde described above; and  is an interpolation hyperparameter
that trades-of the relative weight of BM25 versus the dual encoder models.</p>
      </sec>
      <sec id="sec-2-3">
        <title>2.3. Hybrid Reranking Model</title>
        <p>Our reranking model is a listwise model. To train the model, for each question, we generate a
list of 1 positive example and N negative examples. We randomly sample negative examples
from top retrieved results from rank  to rank  using the hybrid retrieval model described in
Section 2.2. We skip the first  results to avoid false negatives. In addition, we ignore questions
whose gold passage is below rank . We use 15, 100, 5 for ,  and  in this work. We experiment
with two ranking models: BERT-based reranking model and T5-based reranking model.</p>
        <p>BERT-based reranking model is based on TFR-BERT model [17]. The passage for a given
question is represented as “[CLS] question [SEP] passage [SEP]”. The pooled BERT output is
used as the ranking score. For all passages retrieved for a question, the ranking result is obtained
by sorting the passages based on their ranking scores. The model is trained with softmax loss
of list size 50. The model is implemented using the TFR-ranking package3.</p>
        <p>For T5-based reranking model, we only use the encoder and discard the decoder. We represent
the question-passage pair as input sequence “Query: {question} Document: {passage}” and feed
it into the encoder. The output of the encoder is the encodings of the input sequence. We then
apply a projection layer on the encoding of the first token and the output is used as the ranking
score. As with the BERT-based model, the ranking result of a given question is obtained by
sorting the passages based on their ranking scores. We optimize the model using the listwise
softmax cross entropy loss function. We implement the model using T5X4 and we also use RAX
[18], a learning-to-rank framework for implementing the ranking loss.</p>
      </sec>
      <sec id="sec-2-4">
        <title>2.4. Distillation</title>
        <p>The hybrid reranking model learns both the term matching and semantic similarity between
question and passage pairs. We apply distillation to transfer the knowledge learned by the
reranking model to the dual encoder model. We first train a T5-based dual encoder model
[19] using synthetic training data and then run inference over the same synthetic dataset. We
sample negative examples from the top K retrieved passages for each question. We then use
the T5-based reranking model as the teacher and score each question-passage pair. To train
the student dual encoder model, we use the weighted sum of batch softmax loss computed on
in-batch negatives and ranking cross-entropy loss computed on sampled negatives using scores
from the teacher model as soft labels.</p>
        <sec id="sec-2-4-1">
          <title>3https://github.com/tensorflow/ranking 4https://github.com/google-research/t5x</title>
        </sec>
      </sec>
    </sec>
    <sec id="sec-3">
      <title>3. Evaluation</title>
      <p>3.1. Data
We use the articles from the PubMed Annual Baseline Repository for 20215 as the document
collection. During preprocessing, we break each article into passages of 300 tokens. For each
passage in the article, we iterate over every sentence in the passage as target and generate one
synthetic question from each target. We generate around 25 million unique synthetic questions
in total. After filtering, around 7 million synthetic questions are left. We use the 5 test batches
from BioASQ9b as the development set for hyperparameter tuning. It has 497 questions in total.
We use the oficial 6 test batches for evaluation and each test batch is released every two weeks.
Batch 1–5 contain 90 questions in each batch and batch 6 contains 37 questions.</p>
      <sec id="sec-3-1">
        <title>3.2. Systems</title>
        <p>We experiment with five retrieval models: BM25, which is a unigram model using the wordpiece
tokenizer and the vocabulary of PubMed_BERT as described in section 2.1. Its IDF values are
computed on the document collection. BERT DE, which is the BERT-based dual encoder model
described in section 2.2. It is initialized from the pre-trained PubMed_BERT model. Hybrid,
which is the hybrid of BM25 and BERT DE with  = 50 which is achieved by running a grid
search on the development set. Distill T5 DE is the distilled T5-based dual encoder model
described in section 2.4. It is initialized from the PubMed_T5. Distill Hybrid is also a hybrid
model of BM25 and Distill T5 DE with  = 100.</p>
        <p>In order to understand how the hybrid reranking model HybridRR performs on diferent
retrieval models, we submitted three systems that use the same T5-based HybridRR model
trained with the candidates generated from Hybrid retrieval model. We apply this reranking
model on BM25, BERT DE and Hybrid respectively. We also submitted one system that
uses BERT-based HybridRR model to understand how diferent pre-trained models afect the
reranking model. In the later batches, we submitted two systems that use the reranking model
Distill HybridRR trained from Distill Hybrid to understand the efectiveness of distillation.
We apply this reranking model on Hybrid and Distill Hybrid separately. Finally, we submitted
an ensemble system following the reciprocal rank fusion method (RRF)[20]. We compute the
RRF score for a document  as follows:
 () = ∑︁
∈</p>
        <p>1
 + ()
where () is the rank of document  from system , and we set  = 0, after searching from [0,
100] with a step size 10.</p>
        <p>We tried diferent combinations of above mentioned systems, and the ensemble of three
systems that use the same T5-based HybridRR model outperforms other combinations when
we evaluate on the development set.</p>
        <sec id="sec-3-1-1">
          <title>5https://ftp.ncbi.nlm.nih.gov/pubmed/baseline/</title>
        </sec>
      </sec>
      <sec id="sec-3-2">
        <title>3.3. Results and Analysis</title>
        <p>Table 1 shows the oficial results of submitted systems. Not all systems were submitted to all
batches as we updated models while the challenge was underway. We report the mean average
precision (MAP) which is the oficial metric used in the task. The ensemble model showed in
row 7 always outperforms the single models except on Batch 6. Our two-stage hybrid model
in row 3 outperforms other single models; it achieves the best result among all participating
systems in Batch 6.</p>
        <p>After Batch 5, we noticed that some abstracts were missing after the prepossessing. We
ifxed the issue and re-evaluated Batch 1–5. Table 2 shows the updated results. Row 1-5 shows
the results of first-stage retrieval systems. Row 6-10 shows the reranking results of diferent
combinations of retrieval models and reranking models. As we can see, our two-stage hybrid
model in row 8 outperforms the best reporting system and ensemble model (row 11). Comparing
row 1,2 and 3, we can see that the hybrid retrieval model outperforms single retrieval models
by 0.0375-0.052 points in average MAP. After applying the hybrid reranking model as shown in
row 6,7, and 8, the diference is only 0.0032-0.0071 in average MAP, which shows the robustness
of the hybrid reranking model.</p>
        <p>To understand the errors made by our model, we further evaluate the best model from each
batch as indicated in Table 2 and report the performance of each question type and weighted
average (WAVG) since the number of questions for each question type is diferent in each
batch. There are four question types, namely factoid, list, Yes/No and summary. For factoid
type questions, an entity name, a number or a short answer span is expected in the retrieved
passages. For list type questions, a list of entity names, numbers or answer spans is expected in
the retrieved passages. For Yes/No type questions, “Yes” or “No” answers are expected to be
derived from the retrieved passages. For summary type questions, it contains questions that can
not be categorized as the above three types. As we can see from Table 3, the performance for
each type varies between diferent batches. In general, the set achieving higher recall always
achieves higher MAP. When examining the set that has the worst performance, summary
questions from Batch 1, factoid questions from Batch 2 and 4, Yes/No questions from Batch 3 and
5, and List questions from Batch 6, we notice that List type questions are more dificult than the
other three types as knowledge aggregation from diferent documents is usually expected. From
the example in Table 4 it shows that the expected passages should contain answer snippets that
are names of specific tools to predict protein structure and they are from diferent documents.
While the top retrieved passages except P4 contain only high level descriptions instead of
specific tools. In addition, we also note that for many questions, predictions are actually correct,
but due to the annotation sparsity, they are counted as incorrect, especially for Factoid and
Yes/No types questions (i.e., there are many false-negatives in the gold dataset). A metric that
can evaluate whether the retrieved passages contain the answer spans may be more ideal for
those two types of questions.</p>
      </sec>
    </sec>
    <sec id="sec-4">
      <title>4. Conclusion</title>
      <p>We presented our participating system in the 10th BioASQ challenge document retrieval
subtask. We implemented a zero-shot two-stage hybrid model that includes a hybrid retrieval
model consisting of BM25 and a dual encoder model, and a reranking model trained with the
candidates retrieved from the first stage. Our hybrid retrieval model combined with T5-based
reranking model outperforms best reporting system on test Batch 2, 4, and 6.
P1: ... To deal with the overwhelming data, a collection of automated
methods as bioinformatics tools which determine the structure of a protein from
its amino acid sequence have emerged. The aim of this paper is to provide
the experimental biologists with a set of cutting-edge, carefully evaluated,
user-friendly computational tools for protein structure prediction ...</p>
      <p>P2: In principle, it is possible to predict theoretically the three-dimensional
structure of a protein from its amino acid sequence. Recently substantial
progress towards this goal has been made by the use of simple models to ...</p>
      <p>P3: Methods of predicting protein conformation from amino acid sequence
are reviewed. Several widely used algorithms to predict local secondary
structure are first discussed. Four general approaches to predict the tertiary
structure are then described: ... Throughout this review, the likely success of these
methods is considered.</p>
      <p>P4: Protein tertiary structure prediction algorithms aim to predict, from
amino acid sequence, the tertiary structure of a protein. ... Here we briefly
discuss protein tertiary structure prediction, the biennial competition for the
Critical Assessment of Techniques for Protein Structure Prediction (CASP)
and its role in shaping the field. We also discuss, in detail, our cutting-edge
web-server method IntFOLD2-TS for tertiary structure prediction.
Furthermore, we provide a step-by-step guide on using the IntFOLD2-TS web server....
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